CAS 170118-79-3 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one (HCID 5796722)

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Basic information

CAS: 170118-79-3
Standard SMILES: CCO/C=C/C(=O)C(F)(F)Cl
InChIKey: TWVHVIKKHIBYQU-ONEGZZNKSA-N
Molecular formula: C6H7ClF2O2
Average molar mass: 184.57 g/mol

Names & identifiers

Preferred name: 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one
IUPAC: (E)-1-chloro-4-ethoxy-1,1-difluorobut-3-en-2-one
English name: (3E)-1-chloro-4-ethoxy-1,1-difluorobut-3-en-2-one
Molecular formula: C6H7ClF2O2
Molecular weight: 184.57

Names & synonyms

170118-79-3RefChem:5225794-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one807-016-41-chloro-4-ethoxy-1,1-difluorobut-3-en-2-one(E)-1-Chloro-4-ethoxy-1,1-difluoro-3-buten-2-oneMFCD22628449131153-94-11-Chloro-4-ethoxy-1,1-difluoro-3-buten-2-oneSCHEMBL1960089AS-94937SY379144

Show more names

CS-0224506EN300-119785G85586(e)-1,1-difluoro-1-chloro-4-ethoxybut-3-en-2-one(3E)-1-Chloro-4-ethoxy-1,1-difluorobut-3-en-2-one

Database identifiers

CAS: 170118-79-3
PubChem CID: 5796722
EC Number: 807-016-4
Nikkaji: J995.233K

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 168

Physicochemical properties

Boiling point: 140.76 · 140.760±40.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.256 · 1.256±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Symbol(GHS): 2 · GHS02,GHS08,GHS06
Signal word: Danger
Hazard statements: 302 · H302-H330-H317-H412-H226-H319-H315-H372
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501-P260-P264-P270-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS08,GHS06
Hazard statements: H302-H330-H317-H412-H226-H319-H315-H372
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501-P260-P264-P270-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P