4-(クロロメチル)-2-チアゾールアミン・塩酸塩

2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)

HCID 73228CAS 59608-97-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.Nc1nc(CCl)cs1
InChIKey: NMAKJOWVEDTHOA-UHFFFAOYSA-N
分子式: C4H6Cl2N2S
平均分子量: 185.07 g/mol
単同位体質量: 183.96287455

名称と識別子

優先名称: 2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
IUPAC: 4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride
現地名: 4-(クロロメチル)-2-チアゾールアミン・塩酸塩
英語名: 2-Amino-4-chloromethythiazole hydrochloride
分子式: C4H6Cl2N2S
分子量: 185.07

名称と別名

59608-97-82-Thiazolamine, 4-(chloromethyl)-, monohydrochlorideNSC 56821DTXSID00693392-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)RefChem:89437DTXCID60426524-(Chloromethyl)thiazol-2-amine hydrochloride2-Amino-4-(chloromethyl)thiazole hydrochloride2-Amino-4-chloromethythiazole hydrochloride4-Chloromethyl-thiazol-2-ylamine hydrochlorideMFCD00035215

名称をさらに表示

4-(クロロメチル)-2-チアゾールアミン・塩酸塩2-thiazolamine, 4-(chloromethyl)-2-AMino-4-chloroMethythiazole, HCl2-AMINO-4-(CHLOROMETHYL)THIAZOLE HCI2-ThiazolaMine,4-(chloroMethyl)-, hydrochloride2-Amino-4-(chloromethyl)-1,3-thiazole hydrochloride

4-(chloromethyl)-1,3-thiazol-2-amine hydrochloride60090-58-62-Thiazolamine, 4-(chloromethyl)-, hydrochloride4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride2-AMINO-4-(CHLOROMETHYL)THIAZOLE HCL2-amino-4-chloromethyl thiazoleNSC56821SCHEMBL68621

データベース識別子

CAS: 59608-97-8、60090-58-6
PubChem CID: 73228
DTXSID: DTXSID0069339
EC Number: 690-456-2

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: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 80.4

物理化学的性質

融点: 141 · 141-143 °C(Solv: ethanol (64-17-5))
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
InChI: 1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H
InChIKey: NMAKJOWVEDTHOA-UHFFFAOYSA-N
SMILES: NC1=NC(CCl)=CS1.Cl
CAS データベース: 59608 · 59608-97-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Thiazolamine, 4-(chloromethyl)-, monohydrochloride (59608-97-8)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesAcute Tox. 4 (50%)

安全データ

wgk: WGK 3
tsca: TSCA listed
hs_code: 2934100090
risk_code: 43
hazard_code: Xi
safety_code: 36/37
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1): INACTIVE

応用分野

使用2-Amino-4-chloromethyl thiazole hydrochloride is an α-thiophene derivative, which is widely used in synthetic medicines, pesticides, dyes, chemical reagents, polymer additives, etc.