6-Bromo-2,2-dimethylcyclohexan-1-one

HCID 313129CAS 21690-26-6

基本情報

標準SMILES: CC1(C)CCCC(Br)C1=O
InChIKey: NQKPKIZHPZWYJJ-UHFFFAOYSA-N
分子式: C8H13BrO
平均分子量: 205.09 g/mol
単同位体質量: 204.01497714

名称と識別子

優先名称: 6-Bromo-2,2-dimethylcyclohexan-1-one
IUPAC: 6-bromo-2,2-dimethylcyclohexan-1-one

名称と別名

6-bromo-2,2-dimethylcyclohexan-1-oneRefChem:540628872-303-321690-26-66-bromo-2,2-dimethyl-cyclohexanone6-bromo-2,2-dimethyl-cyclohexan-1-one2-bromo-6,6-dimethylcyclohexanoneNSC226244SCHEMBL3538561DTXSID403103776-Bromo-2,2-dimethylcyclohexanoneAKOS018393621

名称をさらに表示

NSC-226244DB-338223EN300-254459

データベース識別子

CAS: 21690-26-6
PubChem CID: 313129
DTXSID: DTXSID40310377
EC Number: 872-303-3
Nikkaji: J760.380K

物性

構造計算による物性

XLogP: 2.6
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: 10
形式電荷: 0
複雑度: 151

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 2 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)