CAS 126764-15-6 1-Bromo-6,6-dimethylhept-2-en-4-yne (HCID 45489594)

基本情報

CAS: 126764-15-6
標準SMILES: CC(C)(C)C#CC=CCBr
InChIKey: OOLYZFSILFGXCC-UHFFFAOYSA-N
分子式: C9H13Br
平均分子量: 201.1 g/mol
単同位体質量: 200.02006252

名称と識別子

優先名称: 1-Bromo-6,6-dimethylhept-2-en-4-yne
IUPAC: 1-bromo-6,6-dimethylhept-2-en-4-yne
英語名: 1-Bromo-6,6-dimethyl-2-hepten-4-yne
分子式: C9H13Br
分子量: 201.1

名称と別名

126764-15-61-bromo-6,6-dimethylhept-2-en-4-yneDTXSID10925699RefChem:430701DTXCID001354525892-903-91-Bromo-6,6-dimethyl-2-hepten-4-yneSCHEMBL5167085OOLYZFSILFGXCC-UHFFFAOYSA-NBFA764151-bromo-6,6-dimethyl-2-hepten-4-ynDB-041838

名称をさらに表示

TIMTEC-BB SBB0088391-BROMO-6,6-DIMETHYL-HEPT-2-EN-4-YNE1-BROMO-6,6-DIMETHYL-2-HEPTENE-4-YNE2-Hepten-4-yne, 1-bromo-6,6-dimethyl-1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane(E/Z)-1-bromo-6,6-dimethylhept-2-ene-4-yne1-BROMO-6,6-DIMETHYL-2-HEPTEN-4-YNE (CIS/TRANS)1-Bromo-6,6-dimethyl-2-hepten-4-yne (Mixture of cis-trans isomers)

1-Bromo-6,6-dimethyl-2-hepten-4-yne(Mixture of cis-trans isomers); 2-Hepten-4-yne, 1-bromo-6,6-dimethyl-; 1-Bromo-6,6-dimethyl-2-hepten-4-yne

データベース識別子

CAS: 126764-15-6
PubChem CID: 45489594
DTXSID: DTXSID10925699
EC Number: 892-903-9

物性

構造計算による物性

XLogP: 3.6
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 170

物理化学的性質

沸点: 65 °C · 65°C 20mm
比重(密度): 1 · 1,12 g/cm3
闪点: 14 °C · 14°C
CAS データベース: 126764 · 126764-15-6(CAS DataBase Reference)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.