CAS 4489-14-9 (1R,3R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarbonyl chloride (HCID 10867076)

基本情報

CAS: 4489-14-9
標準SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)Cl)C1(C)C
InChIKey: VNTCVNLNEOVBEE-SFYZADRCSA-N
分子式: C10H15ClO
平均分子量: 186.68 g/mol
単同位体質量: 186.0811428

名称と識別子

優先名称: (1R,3R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarbonyl chloride
IUPAC: cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride

名称と別名

4489-14-9(1R,3R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarbonyl chlorideRefChem:205050(1R,3R)-2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl chlorideSCHEMBL7106925DTXSID801142300(1R)-trans-2,2-dimethyl-3-(2-methyl-1-propenyl)-cyclopropanecarbonyl chloride(1R)-trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbonyl chloride(1R)-trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid chloride(1R)-trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic chloride(1R)-trans-3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid chloride(1R,3R) 2,2-dimethyl-3-(2-methyl-1-propenyl)-cyclopropane-1-carboxylic acid chloride

データベース識別子

CAS: 4489-14-9
PubChem CID: 10867076
DTXSID: DTXSID801142300
EC Number: 224-780-9
Nikkaji: J205.866I

物性

構造計算による物性

XLogP: 4.4
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: 2
重原子数: 12
形式電荷: 0
複雑度: 236

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, 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.