ソルビン酸クロリド

(2E,4E)-hexa-2,4-dienoyl chloride

HCID 5368941CAS 2614-88-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C/C=C/C=C/C(=O)Cl
InChIKey: GRTWTVFDPBKQNU-MQQKCMAXSA-N
分子式: C6H7ClO
平均分子量: 130.57 g/mol

名称と識別子

優先名称: (2E,4E)-hexa-2,4-dienoyl chloride
IUPAC: (2E,4E)-hexa-2,4-dienoyl chloride
現地名: ソルビン酸クロリド
英語名: Sorbic chloride
分子式: C6H7ClO
分子量: 130.57

名称と別名

2614-88-2(2E,4E)-hexa-2,4-dienoyl chlorideRefChem:396685626-416-8Sorbic chlorideSorboyl chloridetrans,trans-Hexa-2,4-dienoyl chloride2,4-Hexadienoyl chloride, (2E,4E)-MFCD00045227(2E,4E)-2,4-Hexadienoyl chlorideSorbicchlorideSCHEMBL2297852

名称をさらに表示

ソルビン酸クロリドSorbic acid chlorideSorbic chloride USP/EP/BP(E,E)-2,4-Hexadienoyl chloride

CAA61488AKOS006282298(2E,4E)-2,4-Hexadienoyl chloride #EN300-259925EN300-624317H61933

データベース識別子

CAS: 2614-88-2
PubChem CID: 5368941
EC Number: 626-416-8
Nikkaji: J1.096.743K、J1.704.454K

物性

構造計算による物性

XLogP: 2.3
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: 8
形式電荷: 0
複雑度: 124

物理化学的性質

沸点: 169.4 °C · 169.4°C (rough estimate)
比重(密度): 1.0666 · 1.0666
屈折率: 1.5545 · 1.5545
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly)
外見: Oil
色: Clear Pale Yellow to Pale Beige
BRN: 969473 · 969473
InChI: 1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
InChIKey: GRTWTVFDPBKQNU-MQQKCMAXSA-N
SMILES: C\C=C\C=C\C(Cl)=O

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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, 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.

危険有害性情報

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

安全データ

wgk: 3
ridadr: UN 3265 8 / PGII
hs_code: 2914790090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用Reactant for:Preparation of unsaturated hydroxymethylene diphosphonic acid derivatives by reaction of trimethylsilyl phosphitesAsymmetrical synthesis of the isoindolinone subunit of the macrocyclic poylketide natural product muironolide A via stereoselective intramolecular Diels-Alder cycloadditionPreparation of emollient, humectant, and fluorescent α,β-unsaturated thiol esters for long-acting skin applicationsStereoselective synthesis of enediol carbonates for use in the asymmetrical synthesis of α-acyloxyketonesAcylation of pyrazoles