CAS:329-59-9 / methyl 4-fluoro-3-nitrobenzoate--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 329-59-9
methyl 4-fluoro-3-nitrobenzoate

Structure
Name: methyl 4-fluoro-3-nitrobenzoate
Synonyms:

General Information

Product Number: 329599

CAS Registry Number 329-59-9
Name:
Benzoic acid, 4-fluoro-3-nitro-, methyl ester
3-Nitro-4-fluorobenzoic acid methyl ester
4-Fluoro-3-nitrobenzoic acid methyl ester
Methyl 4-fluoro-3-nitrobenzoate

Chemical Formula: C8H6FNO4
Exact Mass: 199.03
Molecular Weight: 199.14
m/z: 199.03 (100.0%), 200.03 (9.2%), 201.03 (1.2%)

InChI:InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3

InChI Key:CNJJSTPBUHAEFH-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Thermal Properties	Value	Condition	Note
Boiling Point	116-119 °C	Press: 1 Torr	(1)CAS
Melting Point	97-98 °C		(4)CAS
Melting Point	60.5-61.1 °C		(3)CAS
Melting Point	55-58 °C		(1)CAS

Specification

98%

References

(1) Finger, G. C.; Journal of the American Chemical Society 1956, V78, P6034-7 CAPLUS
(3) Dietrich, Silvia Anthoine; Chemistry - A European Journal 2009, V15(39), P10144-10157, S10144/1-S10144/29 CAPLUS
(4) Abonia, Rodrigo; European Journal of Medicinal Chemistry 2011, V46(9), P4062-4070 CAPLUS

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