CAS 99-08-1 MFCD00007265-3-Nitrotoluene 3-硝基甲苯 TAO{mole}

3-Nitrotoluene 3-硝基甲苯

CAS 99-08-1 MFCD00007265

化学结构图

SMILES: Cc1cccc([N+](=O)[O-])c1

化学属性

Mol. Formula	C7H7NO2
Mol. Weight	137.14
Refractive index	1.5450 to 1.5490
Boiling Point	232°C
Density	1.157 g/mL at 25 °C(lit.)
Melting Point	14-16 °C(lit.)
Flash Point	101.67°C
TSCA	Yes
Vapor Density	4.73 (vs air)
Vapor Pressure	1 mmHg ( 50.2 °C)
Solubility	不溶

别名和识别编码

Chemical Name	3-Nitrotoluene
Synonym	1-methyl-3-nitrobenzene {LY} 1-methyl-3-nitrobenzene 1-甲基-3-硝基苯 3-METHYLNITROBENZENE 3-Methylnitrobenzene 3-NITROTOLUENE 3-Nitrobenzene 3-Nitrotoluene 3-Nitrotoluol 3-methyl-1-nitrobenzene 3-methylnitrobenzene 3-nitro-toluene 3-nitrotoluene 3-硝基甲苯 3-硝基甲苯,1-甲基-3-硝基苯,间甲基硝基苯 3-硝基甲苯,99% m-Nitrotoluol m-methylnitrobenzene m-mononitrotoluene m-nitrotoluene Benzene, 1-meth {} {LY} 1-methyl-3-nitrobenzene {} {} {LY} 1-methyl-3-nitrobenzene {} {} {} {LY} 1-methyl-3-nitrobenzene {} {} {} {} {LY} 1-methyl-3-nitrobenzene {} {} {} {} {} {LY} 1-methyl-3-nitrobenzene {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {LY} 1-methyl-3-nitrobenzene {} {} {} {} {} {}
CAS Number	99-08-1
PubChem Substance ID	7422
EC Number	202-728-6
Beilstein Registry Number	5,321
MDL Number	MFCD00007265
Reaxys-RN	1906910
Merck Number	6650
Chemical Name Translation	3-硝基甲苯
Wiswesser Line Notation	WNR C1
LabNetwork Molecule ID	LN00223145
InChI	InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
Canonical SMILES	CC1=CC=CC([N+]([O-])=O)=C1

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品牌质保精细包装现货库存一流品牌服务

产品应用

用作有机合成，作染料，医药，塑料，农药，彩色显示剂及合成纤维助剂。

安全信息

GHS Symbol

WGK Germany3

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
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
H302 Harmful if swallowed 吞食有害

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

Hazard Codes T T,F

RTECSXT2975000

Precautionary statements

P501 Dispose of contents/container to..… 处理内容物/容器.....
P308+P313
P304+P340+P310
P301+P312+P330
P301+P310
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
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。
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
P337+P313
P403+P233
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。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P201 Obtain special instructions before use. 使用前获取专门指示。
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。
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。
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。
P332+P313
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P273 Avoid release to the environment. 避免释放到环境中。
P308+P311
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P305+P351+P338+P337+P313
P305+P351+P338

Signal word Danger {} {} {} {} {} {} {TCI}

UN Number UN 1664 6.1/PG 2 1664 UN1664

Risk Statements

R33 Danger of cumulative effects 有累积作用的危险
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
R11 Highly flammable 非常易燃
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R51/53
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害

Safety Statements

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；
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）；
S37 Wear suitable gloves 戴适当手套；
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；

Packing GroupII

Hazard Class6.1

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 425 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 - 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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 330 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHABA8 Chemical Abstracts.  (Chemical Abstracts Service, Box 3012, Columbus,
   OH  43210) V.1-    1907-  Volume(issue)/page/year: 73,91015e,1970

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 693 mg/m3
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Liver - fatty

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 115 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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 60151 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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 31122 mg/kg
SEX/DURATION            : female 13 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-93-3346

Warnings 危险化学品

其他信息

TCI Shanghai:3-硝基甲苯 3-Nitrotoluene,>;99.0%(GC)(99-08-1)
MOL 文件:99-08-1.mol
用途四:用作有机合成，作染料，医药，塑料，农药，彩色显示剂及合成纤维助剂。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。
用途一:主要用于有机合成，作为农药、染料、医药、彩色显影剂、塑料、合成纤维及助剂的中间体
Sigma Aldrich:99-08-1(sigmaaldrich)
爆炸物危险特性:与空气混合可爆
类别:有毒物品
蒸气密度:4.73 (vs air)
Alfa Aesar:3-硝基甲苯,99% 3-Nitrotoluene, 99%(99-08-1)
图谱信息:3-硝基甲苯(99-08-1)核磁图( 13 CNMR) 3-硝基甲苯(99-08-1)红外图谱(IR2) 3-硝基甲苯(99-08-1)红外图谱(IR1) 3-硝基甲苯(99-08-1)质谱(MS) 3-硝基甲苯(99-08-1)核磁图( 1 HNMR)
灭火剂:二氧化碳、泡沫、雾状水、干粉
外观性质:黄色液体或结晶。
上游原料:甲苯 --> 硝酸 --> 4-硝基甲苯 --> 2-硝基甲苯 --> 对甲苯胺
海关编码:29042000
能随水蒸气挥发。能与乙醇和乙醚混溶，溶于苯，极微溶于水，低毒，半数致死量(大鼠，经口)1072mg/kg。有刺激性。
下游产品:4-硝基甲苯 --> 间硝基苯甲醛 --> 3-甲基苯胺 --> 3-氨基-N,N-二甲基苄胺 --> 叔丁基-2-(N-(3-甲基苯基)-N-甲基氨基)醋酸盐 --> 3-氨基-N-甲基苄胺 --> 2,4-二硝基甲苯 --> 间硝基苯甲酸 --> 3-羟基-N-(3-硝基苯基)-2-萘甲酰胺 --> 3-硝基溴苄 --> 3-硝基-4-氯甲苯 --> 3-氟甲苯 --> 2,3-二硝基甲苯 --> 3,4-二硝基甲苯
储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
用途三:用作有机合成，作染料，医药，塑料，农药，彩色显示剂及合成纤维助剂。
Acros Organics:3-硝基甲苯 3-Nitrotoluene, 99%(99-08-1)
3-硝基甲苯价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80094980 3-硝基甲苯;间硝基; 间硝基甲苯 50ml 120元 2011/08/23 80094981 3-硝基甲苯;间硝基; 间硝基甲苯 25ml 85元 2011/08/23 40066960 3-硝基甲苯;间硝基; 间硝基甲苯 25ml 27元
可燃性危险特性:遇明火可燃；燃烧产生有毒氮氧化物烟雾
用途二:用于有机合成，作农药、医药、染料、彩色显影剂、塑料及合成纤维助剂的中间体。
方法一:在工业生产邻硝基甲苯和对硝基甲苯时，可同时回收间硝基甲苯。由3-硝基-4-氨基甲苯经下列过程可制备间硝基甲苯，收率约67%。
毒性分级:高毒
急性毒性:口服-大鼠 LD50:1072 毫克/公斤;口服-小鼠LD50: 330 毫克/公斤
MSDS 信息:3-硝基甲苯(99-08-1).msds
蒸气压:1 mm Hg ( 50.2 °C)
职业标准:TWA 29 毫克/立方米; STEL 58 毫克/立方米