CAS 103-90-2 MFCD00002328-N-Acetyl-4-hydroxyaniline 对乙酰胺基苯酚 TAO{mole}

N-Acetyl-4-hydroxyaniline 对乙酰胺基苯酚

CAS 103-90-2 MFCD00002328

化学结构图

SMILES: CC(=O)Nc1ccc(O)cc1

化学属性

Mol. Formula	C8H9NO2
Mol. Weight	151.16
Melting Point	168-172°C
Density	1.293
TSCA	Yes
Solubility	溶于水(14 g/l at 20 °C), 乙醇 (100 mM), 二甲基亚砜(100 mM), 甲醇(50 mg/ml), and 二甲基甲酰胺.
Stability	对光敏感
Boiling Point	273.17 °C at 760 mmHg

别名和识别编码

Chemical Name	N-Acetyl-4-hydroxyaniline
Synonym	Acetaminophen {LY} Acetaminophen {} {LY} Acetaminophen {} {} {LY} Acetaminophen {} {} {} {LY} Acetaminophen {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetaminophen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number	13,460
CAS Number	103-90-2
EC Number	203-157-5
MDL Number	MFCD00002328
Reaxys-RN	2208089
Merck Number	47
PubChem Substance ID	1983
Chemical Name Translation	对乙酰胺基苯酚
Wiswesser Line Notation	QR DMV1
LabNetwork Molecule ID	LN00195030
InChI	InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
Canonical SMILES	O=C(C)NC1=CC=C(O)C=C1

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产品应用

有机合成中间体，过氧化氢的稳定剂，照相化学药品，非抗炎解热镇痛药。

安全信息

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P273 Avoid release to the environment. 避免释放到环境中。
P302+P352
P501 Dispose of contents/container to..… 处理内容物/容器.....
P405 Store locked up. 上锁保管。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P301+P312+P330
P308+P311
P201 Obtain special instructions before use. 使用前获取专门指示。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。

GHS Symbol

WGK Germany1

Signal word

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H302 Harmful if swallowed 吞食有害
H319 Causes serious eye irritation 严重刺激眼睛

RTECSAE4200000

UN Number 3077

Safety Statements

S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R52/53
R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xn

Packing GroupIII

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {}

Hazard Class9

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 164 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   ACPADQ Acta Pathologica, Microbiologica et Immunologica Scandinavica,
   Section A: Pathology. (Munksgaard International Pub., POB 2148, DK-1016
   Copenhagen K, Denmark)  V.90-95, 1982-87.  Volume(issue)/page/year:
   93,367,1985

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 270 gm/kg/77W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Endocrine - other changes
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 4,363,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 135 gm/kg/77W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - hepatitis (hepatocellular necrosis), zonal
   Liver - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 4,363,1983

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 329 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   ACPADQ Acta Pathologica, Microbiologica et Immunologica Scandinavica,
   Section A: Pathology. (Munksgaard International Pub.,

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 310 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HUTODJ Human Toxicology.  (Macmillan Press Ltd., Houndmills, Basingstoke,
   Hants., RG 21 2XS, UK) V.1-    1981-  Volume(issue)/page/year: 3,13S,1984

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - child
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Cardiac - other changes
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
REFE

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 714 mg/kg
TOXIC EFFECTS :
   Liver - other changes
REFERENCE :
   HUTODJ Human Toxicology.  (Macmillan Press Ltd., Houndmills, Basingstoke,
   Hants., RG 21 2XS, U

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - child
DOSE/DURATION           : 801 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Gastrointestinal - nausea or vomiting
   Liver - other changes
REFERENCE :
   PEDIAU Pediatrics.  (American Academy of Pediatrics, P.O. Box 1034,
   Evanston, IL 60204) V.1-    1948-  Volume(issue)/page/year: 61,68,1978

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 357 mg/kg
TOXIC EFFECTS :
   Behavioral - anorexia (human)
   Behavioral - coma
   Gastrointestinal - nausea or vomit

TYPE OF TEST            : LD50 -

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/disc
REFERENCE :
   JNUDAT Journal of Nihon University School of Dentistry.  (Nihon University
   School of Dentistry, 1-8-13 Surugadai, Kanda, Chiyoda-ku, Tokyo, 101, Japan)
    V.1-    1958-  Volume(issue)/page/year: 34,183,1992

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 300 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 261,1,1991

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Human
DOSE/DURATION           : 42860 ug/

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 80,761,1991

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Human
DOSE/DURATION           : 42857 ug/kg/8H (Intermittent)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 227,147,1989

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - mouse Liver
DOSE/DURATION           : 7500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 164,167,1986

TYPE OF TEST            : Mutation test systems - not otherwi

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 417 mg/kg
SEX/DURATION            : female 20 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - hepatobiliary system
REFERENCE :
   BJOGAS British Journal of Obstetrics and Gynaecology.  (Blackwell Scientific
   Pub. Ltd., POB 88, Oxford, UK)  V.82-    1975- Volume(issue)/page/year:
   91,286,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 600 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   TOXID9 Toxicologist.  (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway,
   Akron, OH 44311) V.1-    1981-  Volume(issue)/page/year: 4,170,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSUR

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1500 mg/kg
SEX/DURATION            : female 8-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volum

其他信息

上游原料:盐酸 --> 乙酸 --> 乙酐 --> 铁粉 --> 亚硫酸氢钠 --> 活性炭 --> 氧化镁 --> 焦亚硫酸钠 --> 4-氨基苯酚 --> 对羟基苯乙酮 --> 二苯甲酮腙
图谱信息:N-乙酰对氨基酚(103-90-2)红外图谱(IR1) N-乙酰对氨基酚(103-90-2)核磁图( 13 CNMR) N-乙酰对氨基酚(103-90-2)质谱(MS) N-乙酰对氨基酚(103-90-2)Raman光谱 N-乙酰对氨基酚(103-90-2)核磁图( 1 HNMR) N-乙酰对氨基酚(103-90-2)红外图谱(IR2)
Acros Organics:对乙酰氨基酚 4-Acetamidophenol, 98%(103-90-2)
用途三:有机合成中间体，过氧化氢的稳定剂，照相化学药品，非抗炎解热镇痛药。
Alfa Aesar:4-乙酰胺基苯酚,98% 4-Acetamidophenol, 98%(103-90-2)
海关编码:29242930
MSDS 信息:4-Acetamidophenol(103-90-2).msds
用途一:用作解热、镇痛、抗风湿药
N-乙酰对氨基酚价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30001224 4-乙酰氨基酚 25g 35元 2011/04/16 H0190 4'-羟基乙酰苯胺 4'-Hydroxyacetanilide 25G 155元 2011/04/16 H0190 4'-羟基乙酰苯胺 4'-Hydroxyacetanilide 500G 567元
用途二:该品为解热镇痛药，国际非专有药名为Paracetamol。它是最常用的非抗炎解热镇痛药，解热作用与阿司匹林相似，镇痛作用较弱，无抗炎抗风湿作用，是乙酰苯胺类药物中最好的品种。特别适合于不能应用羧酸类药物的病人。用于感冒、牙痛等症。对乙酰氨基酚也是有机合成中间体，过氧化氢的稳定剂，照相化学药品。
水中溶解度： 14 g/l (20°C) 溶于乙醇、丙酮、甲醇、DMF, 二氯乙烷和乙酸乙酯，实际上不溶于石油醚、戊烷和苯。
TCI Shanghai:4-羟基乙酰苯胺 4'-Hydroxyacetanilide,>;98.0%(LC)(N)(103-90-2)
Sigma Aldrich:103-90-2(sigmaaldrich)
下游产品:(6R,7R)-3-[[(1-甲基-1H-四唑-5-基)硫]甲基]-7-[(R)-2-(4-乙基-2,3-二氧代-1-哌嗪甲酰氨基)-2-对羟基苯基-乙酰氨基]-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸 --> 非那西丁 --> 奥苯达唑 --> 地芬尼泰 --> 5-苄氧基吲哚-2-甲酸乙酯 --> 硝硫氰醚 --> 3-[(对乙酰氨基)苯氧基]-1,2-环氧丙烷 --> 氯乙酸-4-乙酰氨基苯酯 --> 6-(乙酰氨基)-2,3-二氢-4H-1-苯并吡喃-4酮 --> 6-氟-4-二氢色原酮
方法一:对氨基酚乙酰化而得。方法1：将对氨基酚加入稀乙酸中，再加入冰醋酸，升温至150℃反应7h，加入乙酐，再反应2h，检查终点，合格后冷却至25℃以下，甩滤，水洗至无乙酸味，甩干，得粗品。方法2：将对氨基酚、冰醋酸及含酸50%以上的酸母液一起蒸馏，蒸出稀酸的速度为每小时馏出总量的十分之一，待内温升至130℃以上，取样检查对氨基酚残留量低于2.5%，加入稀酸（含量50%以上），冷却结晶。甩滤，先用少量稀酸洗涤，再用大量水洗至滤液接近无色，得粗品。方法1的收率为90%，方法2的收率为90-95%。精制方法：将水加热至近沸时投入粗品。升温至全溶，加入用水浸泡过的活性炭，用稀乙酸调节至pH=4.2-4.6，沸腾10min。压滤，滤液加少量重亚硫酸钠。冷却至20℃以下，析出结晶。甩滤，水洗，干燥得原料药扑热息痛成品。其他的生产方法还有：（1）在冰醋酸中用锌还原对硝基苯酚，同时乙酰化得到对乙酰氨基酚；（2）将对羟基苯乙酮生成的腙，置于硫酸酸性溶液中，加入亚硝酸钠，转位生成对乙酰氨基酚。
常规方法:密闭保存。
MOL 文件:1