CAS 95-74-9 MFCD00007773-3-Chloro-4-Methylaniline 2-氯-4-氨基甲苯 -LabNovo

3-Chloro-4-Methylaniline 2-氯-4-氨基甲苯

CAS 95-74-9 MFCD00007773

化学结构图

SMILES: Cc1ccc(N)cc1Cl

化学属性

Mol. Formula	C7H8ClN
Mol. Weight	141.60
Refractive index	n20/D 1.584(lit.)
Boiling Point	237-238 °C at 760 mmHg
Density	1.167
Melting Point	26 °C
Flash Point	130°(266°F)
TSCA	Yes
Solubility	1 G/L (20 ºC)
Stability	对光敏感

别名和识别编码

Chemical Name	3-Chloro-4-Methylaniline
Synonym	3-Chloro-4-methylaniline {LY} 3-Chloro-4-methylaniline {} {LY} 3-Chloro-4-methylaniline {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-methylaniline {} {} {} {} {} {} {} {} {}
CAS Number	95-74-9
PubChem Substance ID	87565650
EC Number	202-446-3
Beilstein Registry Number	12,988
MDL Number	MFCD00007773
Reaxys-RN	636511
Alfabeta Name	CHLOROMETHYLANILINE 34---
Chemical Name Translation	2-氯-4-氨基甲苯
Wiswesser Line Notation	ZR CG D1
InChI	InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
LabNetwork Molecule ID	LN00181412
Canonical SMILES	ClC1=CC(N)=CC=C1C

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品牌质保精细包装现货库存一流品牌服务

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H302 Harmful if swallowed 吞食有害
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H301+H311
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H319 Causes serious eye irritation 严重刺激眼睛
H315 Causes skin irritation 会刺激皮肤
H311 Toxic in contact with skin 皮肤接触中毒
H301 Toxic if swallowed 吞食有毒

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 Xn;N T,N

RTECSXU5111000

Precautionary statements

P302+P352+P332+P313+P362+P364
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。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
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
P332+P313
P273 Avoid release to the environment. 避免释放到环境中。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P405 Store locked up. 上锁保管。
P305+P351+P338+P337+P313
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
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。

Signal word

Safety Statements

S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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；
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；
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）；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
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；

Risk Statements

R33 Danger of cumulative effects 有累积作用的危险
R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
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
R24/25 Toxic in contact with skin and if swallowed 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
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R22 Harmful if swallowed 吞咽有害
R50/53

UN Number UN 2239 6.1/PG 3 2239

Packing GroupIII

Warnings IRRITANT

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

Hazard Class6.1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 13 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   21,315,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 48 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   18,517,1971

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 325 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   18,517,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 2400 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   21,315,1972

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 343,157,1995

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 46,305,1977

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 375 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 320,189,1994

其他信息

上游原料:铁粉 --> 硫化钠 --> 三氯化铁 --> 4-硝基甲苯 --> 2-氯-4-硝基甲苯 --> 储槽
3-氯对甲苯胺价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0538 4-氨基-2-氯甲苯 3-Chloro-4-methylaniline 500G 711元 2014/06/02 C0538 4-氨基-2-氯甲苯 3-Chloro-4-methylaniline 25G 152元 2010/06/21 146502500 3-氯对甲苯胺 3-Chloro-4-methylaniline 99% 250 GR 1340元
MSDS 信息:3-氯对甲苯胺(95-74-9).msds
下游产品:3-氯对甲苯胺-6-磺酸
方法二:由对硝基甲苯经氯化、还原而得。1.氯化将硝基甲苯加入反应锅中，加热至75℃，投入无水三氯化铁和碘，搅拌10-20min后，于60℃开始通氯，氯化温度保持在55-70℃，当氯化物熔点>58.5℃在20min内不增长为止。赶气，升温到80-90℃，保持1.5-2h，得2-氯-4-硝基甲苯，收率98%。2.还原将配制好的硫化钠溶液加入反应锅内，在70-80℃加入上述2-氯-4-硝基甲苯，回流4h，温度为110±5℃，胺油纯度>98.5%、熔点>19℃时，蒸馏，得成品，收率90%。如果采用铁粉还原、反应温度100℃左右，反应物用甲苯萃取。收率约95%。
Alfa Aesar:3-氯-4-甲基苯胺,98% 3-Chloro-4-methylaniline, 98%(95-74-9)
用途一:用于制造有机颜料中间体2B酸和农药绿麦隆除草剂及医药中间体等
MOL 文件:95-74-9.mol
用途二:3-氯-4-甲基苯胺是除草剂绿麦隆的中间体。
TCI Shanghai:2-氯-4-氨基甲苯 4-Amino-2-chlorotoluene,>;97.0%(GC)(95-74-9)
用途三:有机合成中间体，用于有机颜料中间体2B酸、农药绿麦隆的生产。
Sigma Aldrich:95-74-9(sigmaaldrich)
用途四:主要用于有机合成工业的中间体。也可制得颜料和涂料及农药中间体。
Acros Organics:3-氯-4-甲基苯胺 3-Chloro-4-methylaniline, 99%(95-74-9)
方法一:其制备方法是将熔融的3-氯-4-甲基硝基苯、溶剂加入高压釜中，然后负压下将定量的催化剂及蒸馏水一起抽入釜内，于一定温度及压力下催化加氢反应，然后将物料抽入储槽，静置分层，物料在蒸馏釜中进行精馏，分别得到溶剂和成品。也可以用硫化钠进行还原，将硫化钠加入反应锅，在70～80℃加入3-氯-4-甲基硝基苯，回流4h，温度在(110±5)℃，反应结束后分层，经蒸馏得成品。
溶于乙醇或苯等大数有机溶剂，不溶于冷水，呈有一般有机胺类物质通性。水中溶解度: 1 g/l (20°C)
图谱信息:3-氯对甲苯胺(95-74-9)核磁图( 1 HNMR) 3-氯对甲苯胺(95-74-9)核磁图( 13 CNMR) 3-氯对甲苯胺(95-74-9)质谱(MS) 3-氯对甲苯胺(95-74-9)红外图谱(IR1)
外观性质:无色液体。

3-Chloro-4-Methylaniline 2-氯-4-氨基甲苯

CAS 95-74-9 MFCD00007773

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