Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • Benzoicacid, 4-fluoro-, methyl ester
Name:Benzoicacid, 4-fluoro-, methyl ester
CAS No:403-33-8

PRODUCT DESCRIPTION

【Name】
Benzoicacid, 4-fluoro-, methyl ester
【Iupac name】
methyl 4-fluorobenzoate
【CAS Registry number】
403-33-8
【Synonyms】
Benzoicacid, p-fluoro-, methyl ester (6CI,7CI,8CI)
4-Fluorobenzoic acid methyl ester
Methyl p-fluorobenzoate
NSC 102770
4-Fluorobenzoic methyl ester
【EINECS(EC#)】
206-956-7
【Molecular Formula】
C8H7FO2 (Products with the same molecular formula)
【Molecular Weight】
154.14
【Inchi】
InChI=1/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
【InChIKey】
MSEBQGULDWDIRW-UHFFFAOYSA-N
【Canonical SMILES】
COC(=O)C1=CC=C(C=C1)F
【MOL File】
403-33-8.mol

Chemical and Physical Properties

【Density】
1.192
【Boiling Point】
90-92 °C20 mm Hg(lit.)
【Vapour】
0.698mmHg at 25°C
【Refractive Index】
n20/D 1.494(lit.)
【Flash Point】
67.4 °C
【Computed Properties】
Molecular Weight:154.138383 [g/mol]
Molecular Formula:C8H7FO2
XLogP3:2.3
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:154.043008
MonoIsotopic Mass:154.043008
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Formal Charge:0
Complexity:139
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R36/38
【Safety Statements 】
S26;S36
【HazardClass】
IRRITANT
【Hazard Note】
Toxic

RELATED PRODUCTS