CAS 99-99-0 MFCD00007366-4-Nitrotoluene 4-硝基甲苯 TAO{mole}

4-Nitrotoluene 4-硝基甲苯

CAS 99-99-0 MFCD00007366

化学结构图

SMILES: Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. Formula	C7H7NO2
Mol. Weight	137.14
Density	1.390
Flash Point	106.11°C
TSCA	Yes
Melting Point	52-54
Boiling Point	238
Autoignition Point	734 °F
Vapor Density	4.7 (vs air)
Vapor Pressure	5 mmHg ( 85 °C)
Solubility	0.35 G/L (20 ºC)
Refractive index	1.5332
Stability	对湿度敏感

别名和识别编码

Chemical Name	4-Nitrotoluene
CAS Number	99-99-0
EC Number	202-808-0
Beilstein Registry Number	1906911
MDL Number	MFCD00007366
Synonym	4-nitrotoluene 4-nitrotoluene hydride 4-nitrotoluene, (ar-nitro)-isomer 4-nitrotoluene, ion (1-) 4-nitrotoluene, ion (1-), hydrogen Toluene, p-nitro- p-Nitrophenylmethane p-nitrotoluene {} {LY} Toluene, p-nitro- {} {} {LY} Toluene, p-nitro- {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Toluene, p-nitro- {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {
Merck Number	6650
PubChem Substance ID	7473
Reaxys-RN	1906911
Chemical Name Translation	4-硝基甲苯
Wiswesser Line Notation	WNR D1
LabNetwork Molecule ID	LN00223489
InChI	InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
Canonical SMILES	CC1=CC=C([N+]([O-])=O)C=C1

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产品应用

校准仪器和装置；评价方法；工作标准；质量保证/质量控制；其他

安全信息

Signal word Danger

GHS Symbol

WGK Germany3

Safety Statements

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；
S37 Wear suitable gloves 戴适当手套；
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）；
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

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
R33 Danger of cumulative effects 有累积作用的危险
R51/53

Precautionary statements

P203
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。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P310
P301+P312+P330
P301+P316
P301+P317
P302+P352
P304+P340
P304+P340+
P304+P340+P310
P305+P351+P338
P307+P311
P308+P311
P308+P316
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
P316
P318
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
P361+P364
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSXT3325000

Packing GroupII

UN Number 3446

Hazard statements

H301 Toxic if swallowed 吞食有毒
H301+H311+H331
H302 Harmful if swallowed 吞食有害
H311 Toxic in contact with skin 皮肤接触中毒
H331 Toxic if inhaled 吸入中毒
H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Hazard Codes 6.1 T,N T,N,F

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

Hazard Class6.1

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 975 mg/m3
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Liver - fatty liver degeneration
   Blood - methemoglobinemia-carboxyhemoglobin
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: 22(7),52,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1231 mg/kg

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1750 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Liver - fatty liver degeneration
   Blood - methemoglobinemia-carboxyhemoglobin
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: 22(7),52,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 940 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - cyanosis
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 24(9),15,1959

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 5 mg/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 200 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 500 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 100 ug/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   26,147,1995

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 4,163,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 65793 mg/kg
SEX/DURATION            : male 13 week(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 :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-93-3346

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 30 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 36,13,1992

其他信息

Acros Organ
{
毒性分级:中毒
蒸气压:5 mm Hg ( 85 °C)
下游产品:对羟基苯甲醛 --> 2-硝基甲苯 --> 对硝基苯甲酸 --> 3-甲基苯胺 --> 4,4'-二氨基二苯乙烯-2,2'-二磺酸 --> 对甲苯胺 --> 3,4-二甲基苯胺 --> 对三氟甲基苯胺 --> 3-硝基甲苯 --> 绿麦隆 --> 2,4-二氨基甲苯 --> 2,6-二氯苯甲醛 --> 3,4,5-三甲氧基苯甲醛 --> 3-氯对甲苯胺-6-磺酸 --> 2,4-二硝基甲苯 --> 2-氯-4-硝基甲苯 --> 对硝基苯甲醛 --> 2-氯-4-硝基苯甲酸 --> 4-氨基苯甲醛 --> 3-氯对甲苯胺 --> (乙酰氨基){[2-((双(2-羟乙基)氨基)甲基)-5-硝基苯基]甲基}丙二酸二乙酯 --> 酸性绿28 --> 碱性品红 --> 4-二甲基氨甲基-苯胺 --> (乙酰氨基){[2-((双(2-氯乙基)氨基)甲基)-5-硝基苯基]甲基}丙二酸二乙酯 --> 对硝基溴化苄 --> 4-硝基甲苯-2-磺酸 --> 2-(氯甲基)-1-甲基-4-硝基苯
用途四:主要用于
方法二:甲苯用混酸硝化，经分离而得对硝基甲苯，同时联产邻硝基甲苯。
灭火剂:二氧化碳、泡沫、雾状水
方法一:其制备方法是将甲苯加入硝化反应釜，冷却至25℃以下，加入配好的混酸(硝酸25%～30%，硫酸55％～58％及水20％～21％)，温度上升，调节温度不超过50℃以上，继续搅拌1～2 h反应结束，静置6 h，将生成的硝基苯分离、水洗、碱洗，粗制硝基甲苯中含有邻硝基甲苯、对硝基甲苯和间硝基甲苯。将粗制硝基甲苯经真空蒸馏，分离大部分的邻硝基甲苯，残余的含有较多的对硝基甲苯馏分再经减压蒸馏分出，经冷却、结晶分离而得对硝基甲苯，而间位硝基苯在分离对位体时的母液中经积累后再精馏而取得。
{Chemica
可燃性危险特性:明火可燃;燃烧释放有毒氮氧化物烟雾; 遇硫酸爆炸
爆炸物危险特性:与空气混合可爆
类别:有毒物品
用途五:主要用于生产DSD酸、增白剂，还用作染料，农药，医药，合成纤维的中间体。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。校准仪器和装置；评价方法；工作标准；质量保证/质量控制；其他。
防护措施:有毒。能经皮肤迅速吸收。吸入其蒸气可中毒。对人体的危害类似于硝基苯。能引起贫血，但比硝基苯弱。在三种异构体中，对硝基甲苯毒性最小。工作场所空气中硝基甲苯的最高容许浓度为5ppm。生产设备应密闭，防止跑、冒、滴、漏。室内应通风良好。操作人员应
图谱信息:4-硝基甲苯(99-99-0)核磁图( 1 HNMR) 4-硝基甲苯(99-99-0)红外图谱(IR2) 4-硝基甲苯(99-99-0)红外图谱(IR1) 4-硝基甲苯(99-99-0)质谱(MS) 4
用途三:主要用于制造对甲苯胺、甲苯二异氰酸酯、联甲苯胺、对硝基苯甲酸、对硝基甲苯-2-磺酸、2-硝基对甲苯胺、3-氯-4-硝基甲苯、二硝基甲苯等，也用作染料中间体及农药、医药、塑料和合成纤维助剂的中间体。
用途二:对硝基甲苯是除草剂绿麦隆等的中间体，也是重要的化工原料，可以制造对甲苯胺、对硝基苯甲酸、对硝基甲苯磺酸、2-氯-4-硝基甲苯、2-硝基-4-甲基苯胺、二硝基甲苯等，还是医药和染料的中间体。
TCI Shanghai:4-硝基甲苯 4-Nitrotoluene,>;99.0%(GC)(99-99-0)
用途一:用于制造对甲苯胺、甲苯
用途二:对硝基甲苯是除草剂绿麦隆等的中间体，也是重要的化工原料，可
蒸气密度:4.7 (vs air)
职业标准:TWA 29 毫克/立方米; STEL 58 毫克/立方米
常规方法:采用铁桶包装，每桶
用途一:用于制造对甲苯胺、甲苯二异氰酸酯等，也用作农药、染料、医药、塑料和合成纤维助剂的中间体