5-ブロモ-2-チアゾールアミン

2-Thiazolamine, 5-bromo-

HCID 43600CAS 3034-22-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ncc(Br)s1
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
分子式: C3H3BrN2S
平均分子量: 179.04 g/mol
単同位体質量: 177.9200312

名称と識別子

優先名称: 2-Thiazolamine, 5-bromo-
IUPAC: 5-bromo-1,3-thiazol-2-amine
現地名: 5-ブロモ-2-チアゾールアミン
英語名: 2-Amino-5-bromothiazole
分子式: C3H3BrN2S
分子量: 179.04

名称と別名

2-Amino-5-bromothiazole5-Bromo-1,3-thiazol-2-amine2-Thiazolamine, 5-bromo-RefChem:483723819-500-2924-305-13034-22-85-bromothiazol-2-amine5-Bromo-thiazol-2-ylamineMFCD000168932-amino-5-bromo-thiazole5-bromo-1,3-thiazole-2-ylamine

名称をさらに表示

5-ブロモ-2-チアゾールアミン5-ブロモチアゾール-2-アミン5-ブロモ-1,3-チアゾール-2-アミン5-broMo-2-aMino-thiazole5-BROMO-2-AMINOTHIAZOLE HYDROBROMIDETIMTEC-BB SBB0002045-Bromo-2-thiazolamine5-Bromothiazole-2-amine

5-Bromothiazol-2-ylamine5-bromo-2-aminothiazole2-amino-5 -bromothiazole5-bromo-thiazol-2-yl-amineSCHEMBL344676orb3174570SCHEMBL9328902CHEMBL5179176

データベース識別子

CAS: 3034-22-8
PubChem CID: 43600
DTXSID: DTXSID20275455
ChEMBL: CHEMBL5179176
EC Number: 819-500-2、924-305-1
Nikkaji: J59.596I

物性

構造計算による物性

XLogP: 1.7
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: 7
形式電荷: 0
複雑度: 70

物理化学的性質

融点: 165 °C · 165 °C (dec.)(lit.)
沸点: 287.6 · 287.6±13.0 °C(Predicted)
比重(密度): 1.976 · 1.976±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
外見: solid
酸解離定数(Pka): 3.22 · 3.22±0.10(Predicted)
色: White
InChI: InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
SMILES: S1C(Br)=CN=C1N
CAS データベース: 3034 · 3034-22-8(CAS DataBase Reference)

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)

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

危険有害性情報

Regulatory Information2-Thiazolamine, 5-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

rtecs: XJ1262200
hs_code: 2934100090
risk_code: 22-36
hazard_code: Xn
safety_code: 26-36/37

化学と産業

応用分野 · 1 件

使用2-Amino-5-bromothiazole is a type of aliphatic hydrocarbon that has been synthesized by Friedel-Crafts acylation. This chemical is used to neutralize typhimurium and can be used in the synthesis of other compounds. The functional theory on how 2-amino-5-bromothiazole works may be due to its ability to form nitro groups, which are highly reactive and cause depression in the reaction scheme. 2-Amino-5-bromothiazole is often used as a test organism for other organisms in order to measure their sensitivity to different types of chemicals. It has also been shown that it has an effect on hydrocarbons, which have been shown to have an effect on organisms such as bacteria.