4-ブロモ-2-メチルチアゾール

4-Bromo-2-methyl-1,3-thiazole

HCID 2763186

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 298694-30-1
標準SMILES: Cc1nc(Br)cs1
InChIKey: LYRXILTUZBBMNS-UHFFFAOYSA-N
分子式: C4H4BrNS
平均分子量: 178.05 g/mol
単同位体質量: 176.92478

名称と識別子

優先名称: 4-Bromo-2-methyl-1,3-thiazole
IUPAC: 4-bromo-2-methyl-1,3-thiazole
現地名: 4-ブロモ-2-メチルチアゾール
英語名: 4-Bromo-2-methylthiazole
分子式: C4H4BrNS
分子量: 178.05

名称と別名

4-bromo-2-methyl-1,3-thiazoleRefChem:519749685-581-44-Bromo-2-methylthiazole298694-30-1MFCD064099454-bromo-2-methyl-thiazole2-methyl-4-bromo-thiazoleSCHEMBL103196DTXSID40376796AKOS006344216PS-6069

名称をさらに表示

4-ブロモ-2-メチルチアゾール2-Methyl-4-bromothiazole4-Bromo-2-methylthiazole 98%4-Bromo-2-(methyl-d3)-thiazole

SY019472CS-0044498EN300-130703Thiazole, 4-bromo-2-methyl-AMY34939SCHEMBL26617152SCHEMBL282090034-bromo-2-methylthiazole, AldrichCPR

データベース識別子

CAS: 298694-30-1
PubChem CID: 2763186
DTXSID: DTXSID40376796
EC Number: 685-581-4

物性

構造計算による物性

XLogP: 2.4
極性表面積: 41.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 68

物理化学的性質

沸点: 199.2 · 199.2±13.0 °C(Predicted)
比重(密度): 1.702 · 1.702±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 0.66 · 0.66±0.10(Predicted)
外見: liquid
色: Colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.