Sorbic chloride

HCID 5368941CAS 2614-88-2

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Basic information

Standard SMILES: C/C=C/C=C/C(=O)Cl
InChIKey: GRTWTVFDPBKQNU-MQQKCMAXSA-N
Molecular formula: C6H7ClO
Average molar mass: 130.57 g/mol

Names & identifiers

Preferred name: Sorbic chloride
English name: Sorbic chloride
Molecular formula: C6H7ClO
Molecular weight: 130.57

Names & synonyms

Sorbic acid chlorideSorbic chlorideSorbic chloride USP/EP/BP(E,E)-2,4-Hexadienoyl chloride(2E,4E)-2,4-Hexadienoyl chloride(2E,4E)-hexa-2,4-dienoyl chloride2,4-Hexadienoyl chloride, (2E,4E)-trans,trans-Hexa-2,4-dienoyl chloride

Database identifiers

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

Properties

Physicochemical properties

Boiling point: 169.4 °C · 169.4°C (rough estimate)
Density: 1.0666 · 1.0666
refractive index: 1.5545 · 1.5545
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: 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
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8 / PGII
WGK Germany: 3 · 3
HS Code: 2914790090 · 2914790090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8 / PGII
hs_code: 2914790090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

UsesReactant 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