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

HCID 5368941CAS 2614-88-2

기본 정보

표준 SMILES: C/C=C/C=C/C(=O)Cl
InChIKey: GRTWTVFDPBKQNU-MQQKCMAXSA-N
분자식: C6H7ClO
평균 분자량: 130.57 g/mol

이름 및 식별자

우선 이름: (2E,4E)-hexa-2,4-dienoyl chloride
IUPAC: (2E,4E)-hexa-2,4-dienoyl chloride
영어명: Sorbic chloride
분자식: C6H7ClO
분자량: 130.57

이름 및 동의어

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

이름 더 보기

Sorbic acid chlorideSorbic chloride USP/EP/BP(E,E)-2,4-Hexadienoyl chloride

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 124

물리화학적 성질

끓는 점: 169.4 °C · 169.4°C (rough estimate)
밀도: 1.0666 · 1.0666
굴절률: 1.5545 · 1.5545
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 기름
색상: 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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8 / PGII
HS 번호: 2914790090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Reactant 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