451-02-5

Name ETHYL 3-FLUOROBENZOATE
CAS 451-02-5
EINECS(EC#) 207-191-1
Molecular Formula C9H9FO2
MDL Number MFCD00000336
Molecular Weight 168.16
MOL File 451-02-5.mol
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Chemical Properties

Appearance White to light yellow crystal powder
Melting point  82°C
Boiling point  94-95 °C/16 mmHg (lit.)
density  1.136 g/mL at 25 °C(lit.)
refractive index  n20/D 1.485(lit.)
Fp  180 °F
storage temp.  Store at room temperature
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 1.136
BRN  2045876
InChI 1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey SMMIKBXLEWTSJD-UHFFFAOYSA-N
SMILES CCOC(=O)c1cccc(F)c1
CAS DataBase Reference 451-02-5(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 3-fluoro-, ethyl ester (451-02-5)

Safety Data

Hazard Codes  F
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S25:Avoid contact with eyes .
S24:Avoid contact with skin .
WGK Germany  3
Hazard Note  Flammable
TSCA  Yes
HazardClass  FLAMMABLE
HS Code  29163990
Storage Class 10 - Combustible liquids

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