CAS 32770-99-3 2-Methylbenzothiazol-5-ylamine dihydrochloride (HCID 16218943)

基本情報

CAS: 32770-99-3
標準SMILES: Cc1nc2cc(N)ccc2s1.Cl.Cl
InChIKey: ZNIGVBCUUZGYDU-UHFFFAOYSA-N
分子式: C8H10Cl2N2S
平均分子量: 237.15 g/mol
単同位体質量: 235.99417468

名称と識別子

優先名称: 2-Methylbenzothiazol-5-ylamine dihydrochloride
IUPAC: 2-methyl-1,3-benzothiazol-5-amine;dihydrochloride
現地名: 5-アミノ-2-メチルベンゾチアゾール二塩酸塩
英語名: 5-Amino-2-methylbenzothiazole dihydrochloride
分子式: C8H9ClN2S
分子量: 200.68

名称と別名

2-Methylbenzothiazol-5-ylamine dihydrochlorideRefChem:475976251-204-35-Amino-2-methylbenzothiazole dihydrochloride32770-99-32-methylbenzo[d]thiazol-5-amine dihydrochloride2-methyl-1,3-benzothiazol-5-amine dihydrochlorideSCHEMBL378064DTXSID809544162-methyl-1,3-benzothiazol-5-amine;dihydrochlorideAKOS0159586912-methyl-5-aminobenzothiazole dihydrochloride

名称をさらに表示

5-アミノ-2-メチルベンゾチアゾール二塩酸塩5-アミノ-2-メチルベンゾチアゾール二塩酸塩2-メチル-5-ベンゾチアゾールアミン・2塩酸塩TIMTEC-BB SBB0032355-Amino-2-methylbenzothiazole2HCl5-amino-2-methyl-benzothiazoldihydrochloride6-BENZOTHIAZOLAMINE, 2-METHYL-, DIHYDROCHLORIDE2-Methyl-benzothiazol-6-ylamine dihydrochloride5-Amino-2-methylbenzothiazole dihydrochloride 97%

EINECS 251-204-3F9995-0271MFCD000126925-AMINO-2-METHYLBENZOTHIAZOLEDIHYDROCHLORIDE5-Amino-2-methylbenzothiazole 2HClDB-048261CS-0258609NS00056304

データベース識別子

CAS: 32770-99-3
PubChem CID: 16218943
DTXSID: DTXSID80954416
EC Number: 251-204-3

物性

構造計算による物性

極性表面積: 67.2 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 249 · 249-250 °C (dec.)(lit.)
外見: powder
InChI: 1S/C8H8N2S.2ClH/c1-5-10-7-4-6(9)2-3-8(7)11-5;;/h2-4H,9H2,1H3;2*1H
InChIKey: ZNIGVBCUUZGYDU-UHFFFAOYSA-N
SMILES: Cl.Cl.Cc1nc2cc(N)ccc2s1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
rtecs: DL2650000
毒性: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03222,
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids