5-Bromo-4-methylthiophene-2-carbonitrile

HCID 21986234

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基本情報

CAS: 304854-52-2
標準SMILES: Cc1cc(C#N)sc1Br
InChIKey: LRQOLFHQTKOVQZ-UHFFFAOYSA-N
分子式: C6H4BrNS
平均分子量: 202.07 g/mol
単同位体質量: 200.92478223

名称と識別子

優先名称: 5-Bromo-4-methylthiophene-2-carbonitrile
IUPAC: 5-bromo-4-methylthiophene-2-carbonitrile
英語名: 5-bromo-4-methylthiophene-2-carbonitrile
分子式: C6H4BrNS
分子量: 202.07

名称と別名

5-Bromo-4-methylthiophene-2-carbonitrile304854-52-22-Thiophenecarbonitrile, 5-bromo-4-methyl-5-bromo-4-methyl-thiophene-2-carbonitrileMFCD17169862SCHEMBL2065243DTXSID10621205LRQOLFHQTKOVQZ-UHFFFAOYSA-NAKOS0160142425-bromo4-methylthiophene-2-carbonitrile5-bromo-4-methyl-2-thiophenecarbonitrile5-bromo-4-methyl-2-thiophene carbonitrile

名称をさらに表示

5-bromo-4-methyl-2-thiophene-carbonitrileDB-068296CS-0333220F19729EN300-3497755F730902Z12691985535-Bromo-4-methylthiophene-2-carbonitrile, 304854-52-2, PubChem22066, SureCN2065243, AKOS016014242, RL03072, AK129586, KB-42370

データベース識別子

CAS: 304854-52-2
PubChem CID: 21986234
DTXSID: DTXSID10621205
EC Number: 160-893-9

物性

構造計算による物性

XLogP: 3
極性表面積: 52 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: 9
形式電荷: 0
複雑度: 150

物理化学的性質

沸点: 252.7 · 252.7±35.0 °C(Predicted)
比重(密度): 1.69 · 1.69±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.