CAS 189331-47-3 5-Bromo-4-methylthiophene-2-carbaldehyde (HCID 16414192)

基本情報

CAS: 189331-47-3
標準SMILES: Cc1cc(C=O)sc1Br
InChIKey: FATNNNCLTSHUQL-UHFFFAOYSA-N
分子式: C6H5BrOS
平均分子量: 205.07 g/mol
単同位体質量: 203.92444788

名称と識別子

優先名称: 5-Bromo-4-methylthiophene-2-carbaldehyde
IUPAC: 5-bromo-4-methylthiophene-2-carbaldehyde
現地名: 2-ブロモ-3-メチル-5-ホルミルチオフェン
英語名: 2-BROMO-3-METHYL-5-FORMYLTHIOPHENE
分子式: C6H5BrOS
分子量: 205.07

名称と別名

189331-47-35-bromo-4-methylthiophene-2-carbaldehydeDTXSID80585946RefChem:533763DTXCID80536711691-798-52-Bromo-3-methyl-5-formylthiopheneMFCD066578075-bromo-4-methyl-thiophene-2-carbaldehyde2-THIOPHENECARBOXALDEHYDE, 5-BROMO-4-METHYL-2-Bromo-3-methylthiophene-5-carboxaldehyde5-Bromo-4-methylthiophene-2-carboxaldehyde

名称をさらに表示

2-ブロモ-3-メチル-5-ホルミルチオフェン2-broMo-3-hexyl -5-forMylthiophene5-bromo-4-methyl-2-thiophene formaldehyde5-Bromo-4-methylthiophene-2-carboxaldehyde 99%2-Bromo-3-methylthiophene-5-carboxaldehyde, 2-Bromo-5-formyl-3-methylthiophene

5-bromo-4-methyl-2-thiophenecarbaldehydeSCHEMBL336602SCHEMBL3194023FATNNNCLTSHUQL-UHFFFAOYSA-N2-brom-3-methyl-5-formylthiophenePHA33147AKOS015834932PB24914

データベース識別子

CAS: 189331-47-3
PubChem CID: 16414192
DTXSID: DTXSID80585946
EC Number: 691-798-5

物性

構造計算による物性

XLogP: 2.8
極性表面積: 45.3 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: 1
重原子数: 9
形式電荷: 0
複雑度: 118

物理化学的性質

沸点: 265 · 265.0±35.0 °C(Predicted)
比重(密度): 1.666 · 1.666±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
色: Yellow

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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.