5-(Bromomethyl)thiophene-2-carbonitrile

HCID 10560016CAS 134135-41-4

基本情報

標準SMILES: N#Cc1ccc(CBr)s1
InChIKey: GOXDYXBTGGZHMD-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-(Bromomethyl)thiophene-2-carbonitrile
IUPAC: 5-(bromomethyl)thiophene-2-carbonitrile
英語名: 5-(BROMOMETHYL)THIOPHENE-2-CARBONITRILE
分子式: C6H4BrNS
分子量: 202.07

名称と別名

5-(bromomethyl)thiophene-2-carbonitrile134135-41-4DTXSID10441723RefChem:300292DTXCID10392544837-017-5MFCD082368572-Thiophenecarbonitrile, 5-(bromomethyl)-SCHEMBL14820512-cyano-5-(bromomethyl)thiophene3-phenylpropylboronic?acid5-bromomethylthiophene-2-carbo

名称をさらに表示

5-bromomethylthiophene-2-carbonitrile5-bromomethyl-thiophene-2-carbonitrileAKOS0052084895-(bromomethyl)-2-thiophencarbonitrileAB441895-(bromomethyl)-2-thiophenecarbonitrileDS-16085SY101641

データベース識別子

CAS: 134135-41-4
PubChem CID: 10560016
DTXSID: DTXSID10441723
EC Number: 837-017-5

物性

構造計算による物性

XLogP: 2.2
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: 1
重原子数: 9
形式電荷: 0
複雑度: 139

物理化学的性質

沸点: 276.9 · 276.9±25.0 °C(Predicted)
比重(密度): 1.68 · 1.68±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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.