2-Bromo-2-methylcyclohexanone

HCID 11116853

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 10409-47-9
標準SMILES: CC1(Br)CCCCC1=O
InChIKey: NRPGPYHKXNYPCG-UHFFFAOYSA-N
分子式: C7H11BrO
平均分子量: 191.07 g/mol
単同位体質量: 189.99933

名称と識別子

優先名称: 2-Bromo-2-methylcyclohexanone
IUPAC: 2-bromo-2-methylcyclohexan-1-one

名称と別名

2-bromo-2-methylcyclohexanone2-bromo-2-methylcyclohexan-1-one10409-47-9DTXSID201307382RefChem:466163DTXCID401737325631-274-5Cyclohexanone, 2-bromo-2-methyl-SCHEMBL7655453NRPGPYHKXNYPCG-UHFFFAOYSA-N2-bromo-2-methyl-1-cyclohexanoneAKOS015906786

名称をさらに表示

EN300-102189

データベース識別子

CAS: 10409-47-9
PubChem CID: 11116853
DTXSID: DTXSID201307382
EC Number: 631-274-5
Nikkaji: J659.613D

物性

構造計算による物性

XLogP: 1.8
極性表面積: 17.1 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: 9
形式電荷: 0
複雑度: 133

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.