CAS 98-95-3 MFCD00007043-硝基苯硝基苯 TAO{mole}

硝基苯硝基苯

CAS 98-95-3 MFCD00007043

化学结构图

SMILES: O=[N+]([O-])C1CCCCC1

化学属性

Mol. Formula	C6H5NO2
Mol. Weight	123
Refractive index	n20/D 1.551(lit.)
Boiling Point	210-212
Density	1.196
Melting Point	5-6 °C(lit.)
Flash Point	87°(188°F)
TSCA	Yes
Autoignition Point	899 °F
Vapor Density	4.2 (vs air)
Vapor Pressure	0.15 mmHg ( 20 °C)
Solubility	略溶于水
Stability	对光敏感
Danger-Level	-
pH	-:-
Redox	-

别名和识别编码

Chemical Name	硝基苯
CAS Number	98-95-3
PubChem Substance ID	7416
EC Number	202-716-0
Beilstein Registry Number	507540
MDL Number	MFCD00007043
Merck Number	14,6588
Synonym	{uni_hamburg} Essence of Myrbane Mononitrobenzene oilofmyrbane ESSENCE OF MYRBANE rcrawastenumberu169 硝苯 129-01 [6] 硝化苯 Rcra waste number U169 MONONITROBENZENE essenceofmirbane nitrobenzol MYRBANE OIL 米耳班油 Essence of myrbane Mirbane oil Mononitrobenzol Benzene,nitro- nitro-benzen 苦杏仁油 Essence of mirbane 人造苦杏仁油 NITROBENZENE NCI-C60082 Nitrobenzol AKOS BBS-00004396 Oil of mirbane Essence of Mirbane 密斑油;苦杏仁油;密班油;人造苦杏仁油;米耳班油 OIL OF MIRBANE C₆H₅NO₂ (nitrobenzene) Nitro-benzene 密斑油 nitrobenzene RCRA waste number U169 硝基苯 Oil of Myrbane benzene, nitro- Nitrobenzen MIRBANE OIL NITROBENZOL Nitrobenzeen 密班油 Oil of Mirbane Mitrobenzole Nitrobenzene 硝基苯标准溶液一硝基苯 Nitro benzene Oil of myrbane
Chemical Name Translation	硝基苯
Wiswesser Line Notation	WNR
LabNetwork Molecule ID	LN00195732
InChI	InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

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分类

{SNA} Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, Cosmetics, Environmental Standards, Flavors and Fragrances, Food & Beverage Standards, N-O, Standards for Personal Care and Cosmetic Products, Volatiles/ Semivolatiles, neats, prohibited substances (EU-REGULATION No 1223/2009)
{SNA} Additional Standards, Alpha Sort, Analytical Standards, Chromatography, Environmental Standards, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, M-P, M-Z, N-O, Organic Pollutant S

产品应用

Nitrobenzene is an organic compound used a standard for detection and analyses as well as its removal from the environment. The compound’s cytotoxic effects have been studied in a hepatocarcinoma cell line.

安全信息

GHS Symbol

WGK Germany3

Hazard Codes 6.1 F,T T T,N T,N,F

Hazard statements

H331 Toxic if inhaled 吸入中毒
H311 Toxic in contact with skin 皮肤接触中毒
H301 Toxic if swallowed 吞食有毒
H351 Suspected of causing cancer 怀疑致癌
H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSDA6475000

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P273 Avoid release to the environment. 避免释放到环境中。
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。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P310
P301+P310+P330
P302+P352
P308+P313
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
P403+P233

Signal word Danger

UN Number 1662 UN 1662 6.1/PG 2 UN1662

Risk Statements

R11 Highly flammable 非常易燃
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R48/23/24
R48/23/24/25
R51/53
R52/53
R60 May impair fertility 可能降低生殖能力
R62 Possible risk of impaired fertility 有削弱生殖能力的危险

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
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；
S7 Keep container tightly closed 保存在严格密闭容器中；

Packing GroupII

Hazard Class6.1

Storage condition 充氩储存密封阴凉保存。密封阴凉避光保存。 2-8°C 充氩保存

Warnings 危化品目录(2015)

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 25 ppm/6H/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   22,328,1994

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 ppm/6H/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   22,328,1994

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCOC** Pesticide Chemicals Official Compendium, Association of the American
   Pesticide Control Officials, Inc., 1966.  (Topeka, KS)
   Volume(issue)/page/year: -,805,1966

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1375,1935

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1375,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 590 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 25(8),50,1981

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneo

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 200 ug/L
REFERENCE :
   BLFSBY Basic Life Sciences.  (Plenum Pub. Corp., 223 Spring St., New York,
   NY 10003)  V.1-    1973-  Volume(issue)/page/year: 39,359,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5300 mg/kg
SEX/DURATION            :

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 300 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 :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 53,219,1988

TYPE OF TEST            : TDL

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1260 ug/m3/4H
SEX/DURATION            : female 1-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(4),48,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3180 mg/kg
SEX/DURATION            : male 2 week(s) pre-mating
                          female 2 w

Restrict 易制爆

其他信息

重要化工原料:硝基苯是一种重要化工原料，可用于生产多种医药和染料中间体，也用于制造橡胶促进剂、油漆、炸药等。
外观性质:淡黄色透明油状液体，有苦杏仁味。
下游产品:氨基苯 --> 3-氨基苯磺酸 --> 3-氨基苯酚 --> 1,3-二氯苯 --> 3-硝基苯胺 --> 对氨基二苯胺 --> 兰雪醌 --> 1,3-二硝基苯 --> 3,8-二氨基-5-甲基-6-苯基溴化菲啶盐 --> 间氨基苯磺酰胺 --> 3-硝基苯磺酸钠 --> 8-氨基-6-甲氧基喹啉 --> 4,4'-二氨基二苯醚 --> 4-(4-甲氧基苯基)丁酸 --> 6-甲氧基-2-乙酰萘 --> 香草粉 --> 分散红 60 --> 4-（2-噻嗯基）丁酸 --> 3-氨基苯磺酸单钠盐 --> N,N'-二苯基-N,N'-二(3-甲基苯基)-1,1'-联苯-4,4'-二胺 --> 4-硝基儿茶酚 --> 6-甲氧基-2-萘甲酸 --> 8-氯喹啉 --> 乙酰丁香酮 --> 酸性黑 2 --> 还原绿
上游原料:氢氧化钠 --> 硫酸 --> 硝酸 --> 碳酸钠 --> 苯 --> 1,3-二硝基苯
类别:农药
Alfa Aesar:硝基苯,99% Nitrobenzene, 99%(98-95-3)
毒性分级:中毒
{Chemical
职业标准:TLV-TWA 1 PPM (5 毫克/ 立方米); STEL 2 PPM (10 毫克/ 立方米)
下游产品:氨基苯 --> 3-氨基苯磺酸 --> 3-氨基苯酚 --> 1,3-二氯苯 --> 3-硝基苯胺 --> 对氨基
化学性质:硝基苯的化学活性与硝基有密切关系，硝基是极性基，是强吸电子基，使苯环上电子云密度降低，须在较强的条件下才能发生亲电取代反应;反之有利于亲核的取代反应，可以进行卤化、磺化、硝化及羰基化反应。硝基是一个不饱和基，具有弱氧化性，能发生还原反应，催化氢化，可生成伯胺;硝基苯可用作酚类酰化反应的溶剂。本品有毒，中毒症状类似苯胺，饮酒可增加中毒性。可经皮及呼吸道吸入，急性中毒时，产生头痛、恶心、呕吐和疲倦等症状，重者昏睡、神智不清。大鼠经口LD50640mg/kg。工作场所最高允许浓度1×10-6。通常由苯与硝酸及硫酸(混合酸)在55℃左右反应制得硝基苯。由于硝基引入苯环，其致钝作用使硝基苯的亲电取代活
常规方法:采用铁桶严密包装，每桶净重200kg。贮存于阴凉、干燥处。防火、防晒。按有毒危险物品规定贮运。
物理性质:硝基苯俗名人造苦杏仁油、密斑油，纯品是几乎无色或淡黄色油状液体，有近似苦杏仁油的特殊臭味，能随水蒸气一起挥发。有毒。相对密度1.307，熔点5.70℃，沸点210.9℃。普通品常含有少量的二硝基苯和二硝基噻吩等杂质，呈黄色或红黄色液体。几乎不溶于水，溶于乙醇、乙醚等有机溶剂。水溶液带甜味，碱性或酸性还原能分步生成亚硝基苯、苯胲、苯胺，在弱酸中电解还原直接生成苯胺，在强酸中则生成对氨基苯酚。毒性LD50lg/kg(兔)。硝基苯是重要的有机合成中间体之
图谱信息:硝基苯(98-95-3)质谱(MS) 硝基苯(98-95-3)Raman光谱硝基苯(98-95-3)核磁图( 13 CNMR) 硝基苯(98-95-3)核磁图( 1 HNMR) 硝基苯(98-95-3)红外图谱(IR1) 硝基苯(98-95-3)红外图谱(IR2)
用途二:作为基本有机化工原料，用于生产多种医药和染料中间体，如苯胺、间氨基苯磺酸、二硝基苯等，也用作溶剂
TCI Shanghai:硝基苯 Nitrobenzene,>;98.0%(GC)(98-95-3)
化学性质:硝基苯的化学活性与硝基有密切关系，硝基是极性基，是强吸电子基，使苯环上电子云密度降低，须在较强的条件下才能发生亲电取代反应;反之有利于亲核的取代反应，可以进行卤化、磺化、硝化及羰基化反应。硝基是一个不饱和基，具有弱氧化性，能发生还原反应，催化氢化，可生成伯胺;硝基苯可用作酚类酰化反应的溶剂。本品有毒，中毒症状类似苯胺，饮酒可增加中毒性。可经皮及呼吸道吸入，急性中毒时，产生头痛、恶心、呕吐和