Linoleoyl chloride

HCID 9817754CAS 7459-33-8

基本情報

標準SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl
InChIKey: FBWMYSQUTZRHAT-HZJYTTRNSA-N
分子式: C18H31ClO
平均分子量: 298.9 g/mol
単同位体質量: 298.20634329

名称と識別子

優先名称: Linoleoyl chloride
IUPAC: (9Z,12Z)-octadeca-9,12-dienoyl chloride

名称と別名

Linoleoyl chlorideLinoleic acid chloride7459-33-8Lineoleoyl chloride9,12-Octadecadienoyl chloride, (Z,Z)-R0E0WI3SP3EINECS 231-233-8UNII-R0E0WI3SP3NSC 162219DTXSID30880877NSC-162219RefChem:153558

名称をさらに表示

DTXCID201022225231-233-8FBWMYSQUTZRHAT-HZJYTTRNSA-N(9Z,12Z)-Octadeca-9,12-dienoyl chlorideLINOLEOYLCHLORIDEMFCD00151403C18H31ClOlinolic acid chloride

データベース識別子

CAS: 7459-33-8
PubChem CID: 9817754
DTXSID: DTXSID30880877
UNII: R0E0WI3SP3
EC Number: 231-233-8
Nikkaji: J149.776F

物性

構造計算による物性

XLogP: 7.6
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: 14
重原子数: 20
形式電荷: 0
複雑度: 269

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

危険有害性情報

Regulatory Information9,12-Octadecadienoyl chloride, (9Z,12Z)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)