CAS 20358-05-8 7-Bromo-1,3-benzothiazol-2-amine (HCID 20357112)

基本情報

CAS: 20358-05-8
標準SMILES: Nc1nc2cccc(Br)c2s1
InChIKey: YHKASBDRJLTLHH-UHFFFAOYSA-N
分子式: C7H5BrN2S
平均分子量: 229.1 g/mol
単同位体質量: 227.93568

名称と識別子

優先名称: 7-Bromo-1,3-benzothiazol-2-amine
IUPAC: 7-bromo-1,3-benzothiazol-2-amine
現地名: 2-アミノ-7-ブロモベンゾチアゾール
英語名: 2-Amino-7-bromobenzothiazole
分子式: C7H5BrN2S
分子量: 229.1

名称と別名

20358-05-87-Bromo-1,3-benzothiazol-2-amineDTXSID00605933RefChem:545556DTXCID20556690960-329-97-Bromobenzo[d]thiazol-2-amine2-Amino-7-bromobenzothiazole2-Benzothiazolamine, 7-bromo-2-Amino-7-bromo-1,3-benzothiazoleMFCD11110957SCHEMBL1619718

名称をさらに表示

2-アミノ-7-ブロモベンゾチアゾール7-ブロモ-1,3-ベンゾチアゾール-2-アミン10-Bromoquinoxaline2-Amino-7-brom-benzthiazol7-bromo-1,3-benzothiazol-2-amine - [AC80363]

AKOS016013766PS-5661SY016642CS-0038098EN300-172899F321423F0001-0719Z1269131394

データベース識別子

CAS: 20358-05-8
PubChem CID: 20357112
DTXSID: DTXSID00605933
EC Number: 960-329-9
Nikkaji: J182.572K

物性

構造計算による物性

XLogP: 2.7
極性表面積: 67.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 189 · 189-191 °C(Solv: ethanol (64-17-5))
沸点: 366.8 · 366.8±34.0 °C(Predicted)
比重(密度): 1.836 · 1.836±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 2.63 · 2.63±0.30(Predicted)
外見: solid
色: Off-white to pale yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 29342000

化学と産業

応用分野 · 1 件

使用2-Amino-7-bromobenzothiazole is an organic heterocyclic compound used primarily as an intermediate in organic synthesis and can be used in solid phase synthesis. It is cleaved under acidic conditions and can be used to prepare other heterocyclic compounds.