5-Bromo-3-methylpyridine-2-carbonitrile

HCID 20775007

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 156072-86-5
標準SMILES: Cc1cc(Br)cnc1C#N
InChIKey: YPCLLVYLWXIIBW-UHFFFAOYSA-N
分子式: C7H5BrN2
平均分子量: 197.03 g/mol
単同位体質量: 195.96361026

名称と識別子

優先名称: 5-Bromo-3-methylpyridine-2-carbonitrile
IUPAC: 5-bromo-3-methylpyridine-2-carbonitrile
英語名: 5-bromo-3-methylpicolinonitrile
分子式: C7H5BrN2
分子量: 197.03

名称と別名

156072-86-55-Bromo-3-methylpyridine-2-carbonitrileDTXSID40609738RefChem:301819DTXCID80560495826-968-15-Bromo-3-methylpicolinonitrile5-Bromo-2-cyano-3-methylpyridine2-PYRIDINECARBONITRILE, 5-BROMO-3-METHYL-MFCD11975788SCHEMBL20761235-Bromo-3-methyl-picolinonitrile

名称をさらに表示

5-Bromo-3-methyl-2-pyridinitrile5-bromo-3-methyl-2-pyridinecarbonitrile2-Pyridinecarbonitrile,5-bromo-3-methyl-5- Bromo-2-Cyano-3-methyl picolinonitrile5-Bromo-2-cyano-3-methylpyridine, 5-Bromo-3-methylpicolinonitrile5-Bromo-3-methylpicolinonitrile/5-bromo-3-methylpyridine-2-carbonitrile

YPCLLVYLWXIIBW-UHFFFAOYSA-N5-bromo-3-methyl-2-cyanopyridineAKOS015911680AB65088CS-W003818FS-34365-Bromo-3-methyl-pyridine-2-carbonitrileSY031479

データベース識別子

CAS: 156072-86-5
PubChem CID: 20775007
DTXSID: DTXSID40609738
EC Number: 826-968-1
Nikkaji: J3.446.114G

物性

構造計算による物性

XLogP: 2
極性表面積: 36.7 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: 10
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 283.6 · 283.6±35.0 °C(Predicted)
比重(密度): 1.61 · 1.61±0.1 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): -2.38 · -2.38±0.20(Predicted)

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.