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

HCID 5368941CAS 2614-88-2

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Grundinformationen

Standard-SMILES: C/C=C/C=C/C(=O)Cl
InChIKey: GRTWTVFDPBKQNU-MQQKCMAXSA-N
Summenformel: C6H7ClO
Durchschnittliche Molmasse: 130,57 g/mol

Namen und Bezeichner

Bevorzugter Name: (2E,4E)-hexa-2,4-dienoyl chloride
IUPAC: (2E,4E)-hexa-2,4-dienoyl chloride
Englischer Name: Sorbic chloride
Summenformel: C6H7ClO
Molmasse: 130.57

Namen und Synonyme

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

Weitere Namen anzeigen

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

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Siedepunkt: 169.4 °C · 169.4°C (rough estimate)
Dichte: 1.0666 · 1.0666
Brechungsindex: 1.5545 · 1.5545
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
Farbe: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant 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