CAS 1483-55-2 2-Bromo-5-(trifluoromethyl)benzonitrile (HCID 12223980)

基本情報

CAS: 1483-55-2
標準SMILES: N#Cc1cc(C(F)(F)F)ccc1Br
InChIKey: ICEINTPQBJRYDE-UHFFFAOYSA-N
分子式: C8H3BrF3N
平均分子量: 250.01 g/mol
単同位体質量: 248.94009586

名称と識別子

優先名称: 2-Bromo-5-(trifluoromethyl)benzonitrile
IUPAC: 2-bromo-5-(trifluoromethyl)benzonitrile
現地名: 2-ブロモ-5-(トリフルオロメチル)ベンゾニトリル
英語名: 2-Bromo-5-(trifluoromethyl)benzonitrile
分子式: C8H3BrF3N
分子量: 250.02

名称と別名

2-BROMO-5-(TRIFLUOROMETHYL)BENZONITRILE1483-55-2DTXSID70481221RefChem:85751DTXCID70432031691-305-3Benzonitrile, 2-bromo-5-(trifluoromethyl)-MFCD034121872-bromo-5-(trifluoromethyl)benzenecarbonitrile2-bromo-5-trifluoromethyl benzonitrile5-(Trifluoromethyl)-2-bromobenzonitrile4-BROMO-3-CYANOBENZOTRIFLUORIDE

名称をさらに表示

2-ブロモ-5-(トリフルオロメチル)ベンゾニトリル2-bromo-5-trifluoromethylphenylnitrile2-Bromo-2-(trifluoromethyl)benzonitrile2-Bromo-5-(trifluoromethyl)benzonitrile98%2-Bromo-5-(trifluoromethyl)benzonitrile 98%2-BroMo-5-(trifluoroMethyl)benzonitrile, 97+%

2-bromo-5-trifluoromethylbenzonitrileSCHEMBL153913CK2119SBB055262AKOS015834887AC-4037FB67416PS-7484

データベース識別子

CAS: 1483-55-2
PubChem CID: 12223980
DTXSID: DTXSID70481221
EC Number: 691-305-3

物性

構造計算による物性

XLogP: 3.2
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 229

物理化学的性質

融点: 50 · 50-51°C
沸点: 107 · 107-115°C (10 torr)
比重(密度): 1.71 · 1.71±0.1 g/cm3(Predicted)
貯蔵温度: Room temperature.
外見: Solid
CAS データベース: 1483 · 1483-55-2(CAS DataBase Reference)

化学的性質

化学的特性White crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.