Ethyl 2,2-difluoro-3-hydroxypropanoate

HCID 2758828CAS 380-41-6

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Basic information

Standard SMILES: CCOC(=O)C(F)(F)CO
InChIKey: HHDADYBESRVMSN-UHFFFAOYSA-N
Molecular formula: C5H8F2O3
Average molar mass: 154.11 g/mol

Names & identifiers

Preferred name: Ethyl 2,2-difluoro-3-hydroxypropanoate
IUPAC: ethyl 2,2-difluoro-3-hydroxypropanoate
English name: ETHYL 2,2-DIFLUORO-3-HYDROXYPROPIONATE
Molecular formula: C5H8F2O3
Molecular weight: 154.11

Names & synonyms

ethyl 2,2-difluoro-3-hydroxypropanoate380-41-6RefChem:593421695-285-72,2-Difluoro-3-hydroxy-propionic acid ethyl esterMFCD05864326ethyl 2,2-difluoro-3-hydroxypropionatePropanoic acid, 2,2-difluoro-3-hydroxy-, ethyl esterSCHEMBL936998SCHEMBL8972803AAA38041AKOS006293483

Show more names

methyl 2,2-difluoro-3-hydroxypropanoate

ethyl2,2-difluoro-3-hydroxypropanoateSB36936ethyl 2,2-difluoro-3-hydroxy-propanoateDB-260232CS-0309335D57070EN300-176153

Database identifiers

CAS: 380-41-6
PubChem CID: 2758828
EC Number: 695-285-7

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 75 · 75-78°C/9mm
Density: 1.2612 g/cm3 · 1.2612 g/cm3
pka: 12.92 · 12.92±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: F

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: F
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501