2-ブロモプロピオニトリル

2-Bromopropionitrile

HCID 140538

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 19481-82-4
標準SMILES: CC(Br)C#N
InChIKey: PYNYHMRMZOGVML-UHFFFAOYSA-N
分子式: C3H4BrN
平均分子量: 133.97 g/mol
単同位体質量: 132.95271123

名称と識別子

優先名称: 2-Bromopropionitrile
IUPAC: 2-bromopropanenitrile
現地名: 2-ブロモプロピオニトリル
英語名: 2-BROMOPROPIONITRILE
分子式: C3H4BrN
分子量: 133.97

名称と別名

2-BromopropionitrileRefChem:467303628-749-42-bromopropanenitrile19481-82-4Propanenitrile, 2-bromo-MFCD000103832-bromo-propionitrilePropanenitrile, bromo-2-bromopropanitrile(+/-)-2-Bromopropionitrile;alpha-Bromopropionitrile2-bromoproprionitrile

名称をさらに表示

2-ブロモプロピオニトリルPropanenitrile, 2-bromo- (9CI)2-bromopropanenitrile - [B84363]

2-BroMopropionitrile 97%(+) 2-bromo-propionitrile2-Bromopropionitrile, 97%(+/-)-2-BromopropionitrileSCHEMBL181237SCHEMBL7670740SCHEMBL15742654DTXSID80941245

データベース識別子

CAS: 19481-82-4
PubChem CID: 140538
DTXSID: DTXSID80941245
EC Number: 628-749-4
Nikkaji: J797.238E

物性

構造計算による物性

XLogP: 1.2
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: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 60.5

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

沸点: 68 · 68-69 °C/50 mmHg (lit.)
比重(密度): 1.55 g/mL · 1.55 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.461(lit.)
闪点: 137 °F · 137 °F
貯蔵温度: -20 °C · Storage temp. -20°C
外見: liquid
InChI: InChI=1S/C3H4BrN/c1-3(4)2-5/h3H,1H3
InChIKey: PYNYHMRMZOGVML-UHFFFAOYSA-N
SMILES: C(#N)C(Br)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-28-36/37/39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用2-Bromopropionitrile was used as an initiator in the atom transfer radical polymerization using activators generated by electron transfer (AGET ATRP) of acrylonitrile and the reaction was catalysed by Yb-based catalyst.