CAS 19064-14-3 Benzoic acid, 2,6-difluoro-, ethyl ester (HCID 519631)

Substructure search Find similar structures

Basic information

CAS: 19064-14-3
Standard SMILES: CCOC(=O)c1c(F)cccc1F
InChIKey: FBQKPNPHWYPJFU-UHFFFAOYSA-N
Molecular formula: C9H8F2O2
Average molar mass: 186.15 g/mol
Monoisotopic mass: 186.04923582

Names & identifiers

Preferred name: Benzoic acid, 2,6-difluoro-, ethyl ester
IUPAC: ethyl 2,6-difluorobenzoate
English name: RARECHEM AL BI 0212
Molecular formula: C9H8F2O2
Molecular weight: 186.16

Names & synonyms

19064-14-3Benzoic acid, 2,6-difluoro-, ethyl esterRefChem:118299Ethyl 2,6-difluorobenzoateMFCD06204338Ethyl2,6-difluorobenzoate2,6-Difluorobenzoic acid, ethyl esterEthyl 2,6-difluorobenzoate #SCHEMBL1996045DTXSID601014810AKOS008947914TS-02597

Show more names

RARECHEM AL BI 0212Ethyl 2,6-difluorobenzoate 97%

CS-00615552,6-Difluorobenzoic acid ethyl esterFT-0762505A880404ethyl-2,6-difluorobenzene-carboxylateSY043381DB-323549F402938

Database identifiers

CAS: 19064-14-3
PubChem CID: 519631
DTXSID: DTXSID601014810
EC Number: 943-621-0
Nikkaji: J3.782.341D

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 228 · 228.0±30.0 °C(Predicted)
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Colourless
EPA Substance Registry System: 2 · Benzoic acid, 2,6-difluoro-, ethyl ester (19064-14-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.