CAS 136-95-8 MFCD00005785-2-Aminobenzothiazole 2-氨基苯并噻唑 TAO{mole}

2-Aminobenzothiazole 2-氨基苯并噻唑

CAS 136-95-8 MFCD00005785

化学结构图

SMILES: Nc1nc2ccccc2s1

化学属性

Mol. Formula	C7H6N2S
Mol. Weight	150.20
Density	1.383
Melting Point	126-129°C
TSCA	Yes
Solubility	<0.1 G/100 ML AT 19 ºC
Stability	对光敏感
Boiling Point	190-195 °C at 0.05 mmHg

别名和识别编码

Chemical Name	2-Benzothiazolamine
CAS Number	136-95-8
Alfabeta Name	AMINOBENZOTHIAZOLE 2-
MDL Number	MFCD00005785
EC Number	205-268-4
Beilstein Registry Number	27(2)225
Merck Number	424
Synonym	Benzo[d]thiazol-2-amine {LY} Benzo[d]thiazol-2-amine benzo(d)thiazol-2-amine {} {LY} Benzo[d]thiazol-2-amine {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol
PubChem Substance ID	8706
Reaxys-RN	116315
Chemical Name Translation	2-氨基苯并噻唑
Wiswesser Line Notation	T56 BN DSJ CZ
LabNetwork Molecule ID	LN00002679
Canonical SMILES	NC1=NC2=CC=CC=C2S1
InChI	InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

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产品应用

染料中间体。也是其他有机合成的原料。

安全信息

Warnings IRRITANT

Signal word

GHS Symbol

WGK Germany2

Safety Statements

Risk Statements

R36 Irritating to eyes 刺激眼睛
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

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
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。
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。
P301+P312
P301+P312+P330
P301+P317
P302+P350
P302+P352+P332+P313+P362+P364
P305+P351+P338
P305+P351+P338+P337+P313
P330 Rinse mouth. 漱口
P332+P313
P337+P313
P337+P317
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
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSDL1050000

Hazard statements

H302 Harmful if swallowed 吞食有害
H319 Causes serious eye irritation 严重刺激眼睛
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

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

Hazard Codes Xn Xn,Xi

Packing GroupIII

UN Number UN 2811 6.1/PG 3

Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 126 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella
   Postale 227, 27100 Pavia, Italy)  V.44-   1989-  Volume(issue)/page/year:
   45,223,1990

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2500 ug/plate
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   23,695,1985

其他信息

毒性分级:中毒
2-氨基苯并噻唑价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30007580 2-氨基苯并噻唑;2-苯并噻唑胺 10g 188.4元 2011/04/16 A0277 2-氨基苯并噻唑 2-Aminobenzothiazole 25G 196元 2011/04/16 A0277 2-氨基苯并噻唑 2-Aminobenzothiazole 500G 1210元
Hazard Note:Irritant
可燃性危险特性:可燃;燃烧产生有毒氮氧化物和硫氧化物烟雾
类别:有毒物品
TCI Shanghai:2-氨基苯并噻唑 2-Aminobenzothiazole,>;97.0%(LC)(T)(136-95-8)
Sigma Aldrich:136-95-8(sigmaaldrich)
上游原料:二氯化二硫 --> 苯基硫脲
用途三:染料中间体。用于生产阳离子紫3RL，还用合成3-甲基苯并噻唑腙用于生产阳离子紫2RL等，也是其他有机合成的原料。
用途一:用作医药、染料中间体
下游产品:2-溴苯并噻唑 --> 阳离子艳蓝RL
海关编码:29342080
储运特性:库房通风低温干燥
用途二:用于有机合成
外观性质:小叶状结晶。在蒸馏时不分解。易溶于乙醇、乙醚和氯仿，溶于浓酸，极微溶于水。半数致死量(小鼠，静脉)126mg/kg。有刺激性。熔点：130℃
MOL 文件:136-95-8.mol
在蒸馏时不分解。易溶于乙醇、乙醚和氯仿，溶于浓酸，极微溶于水。半数致死量(小鼠，静脉)126mg/kg。有刺激性。
检测方法:HPLC,NMR
Alfa Aesar:2-氨基苯并噻唑,98% 2-Aminobenzothiazole, 98%(136-95-8)
Acros Organics:2-氨基苯并噻唑 2-Aminobenzothiazole, 97%(136-95-8)
急性毒性:口服-小鼠LD50: 1000 毫克/公斤; 腹腔-小鼠 LD50: 200 毫克/公斤
方法一:由苯基硫脲与氯化硫反应得到。先将无水氯仿吸入搪玻璃锅中，于搅拌下加入苯基硫脲，慢慢升温到60-63℃，蒸出含水氯仿，冷却至40℃加入氯化硫，气相温度不高于40℃，以免物料结块。加完后4h逐步升温至61℃，在61-64℃回流反应10h。然后将其排到盛有一定水量和活性炭的蒸馏锅中，用直接蒸汽蒸馏回收氯仿到液相温度为98℃，并维持15min。回收完毕，加水稀释，加冰冷却，加液碱中和至pH值为4.1，再加活性炭后搅拌。冷却、抽滤，滤液用30%液碱中和至pH值为7.0-7.6，然后冷却到35-40℃，压滤、烘干（温度不超过80℃）即得成品。熔点128-130℃，收率74.4%。
图谱信息:2-氨基苯并噻唑(136-95-8)红外图谱(IR1) 2-氨基苯并噻唑(136-95-8)核磁图( 1 HNMR) 2-氨基苯并噻唑(136-95-8)红外图谱(IR2) 2-氨基苯并噻唑(136-95-8)质谱(MS) 2-氨基苯并噻唑(136-95-8)核磁图( 13 CNMR)
灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
MSDS 信息:2-Benzothiazolamine(136-95-8).msds