Benzoic acid, 2-fluoro-, ethyl ester

HCID 67953

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 443-26-5
Standard SMILES: CCOC(=O)c1ccccc1F
InChIKey: RUWPGPOBTHOLHF-UHFFFAOYSA-N
Molecular formula: C9H9FO2
Average molar mass: 168.16 g/mol
Monoisotopic mass: 168.05865775

Names & identifiers

Preferred name: Benzoic acid, 2-fluoro-, ethyl ester
IUPAC: ethyl 2-fluorobenzoate
English name: Ethyl 2-fluorobenzoate
Molecular formula: C9H9FO2
Molecular weight: 168.16

Names & synonyms

Ethyl 2-fluorobenzoateEthyl o-fluorobenzoateBenzoic acid, 2-fluoro-, ethyl esterEINECS 207-134-0NSC 67340AI3-11087DTXSID6059996RUWPGPOBTHOLHF-UHFFFAOYSA-2-Fluorobenzoic acid, ethyl esterRefChem:118352DTXCID3040300207-134-0

Show more names

RARECHEM AL BI 0016ETHYL 2-FLUOROBENZOAEthyl o-Fluorobenzonate3-ethyl-2-fluorobenzoateEthyl2-Fluorobenzoate>Ethyl 2-fluorobenzoate 98%Ethyl 2-fluorobenzoic acidEthyl 2-fluorobenzoate, 98+%

InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3RUWPGPOBTHOLHF-UHFFFAOYSA-N443-26-52-Fluorobenzoic Acid Ethyl EsterMFCD00039214Benzoic acid, o-fluoro-, ethyl esterethyl2-fluorobenzoateethyl 2-fluoro-benzoate

Database identifiers

CAS: 443-26-5
PubChem CID: 67953
DTXSID: DTXSID6059996
EC Number: 207-134-0
Nikkaji: J196.128D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 115 °C · 115 °C
Density: 1.15 · 1.15
refractive index: 1.493 · 1.493
Flash point: 217 · 217-220°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light orange to Yellow
Specific Gravity: 1.15 · 1.15
BRN: 2084296 · 2084296
CAS DataBase Reference: 443 · 443-26-5(CAS DataBase Reference)
EPA Substance Registry System: 2 · Benzoic acid, 2-fluoro-, ethyl ester (443-26-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P403+P235-P501
Hazard Codes: F
Safety Statements: 24 · 24/25
Hazard Note: Flammable
TSCA: TSCA listed
HS Code: 29163990 · 29163990

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.