CAS:100959-22-6 / methyl 2-bromo-4-nitrobenzoate--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 100959-22-6
methyl 2-bromo-4-nitrobenzoate

Structure
Name: methyl 2-bromo-4-nitrobenzoate
Synonyms:

General Information

Product Number: 100959226

CAS Registry Number: 100959-22-6

Name:

Benzoic acid, 2-bromo-4-nitro-, methyl ester

2-Bromo-4-nitro-benzoic acid methyl ester; Methyl 2-bromo-4-nitrobenzoate

Chemical Formula: C8H6BrNO4

Exact Mass: 258.95

Molecular Weight: 260.04

m/z: 258.95 (100.0%), 260.95 (98.5%), 259.95 (9.2%), 261.95 (8.6%), 262.95 (1.2%)

Elemental Analysis: C, 36.95; H, 2.33; Br, 30.73; N, 5.39; O, 24.61

InChI: InChI=1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3

InChIKey: XYMZAFDNPJLOTP-UHFFFAOYSA-N

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

Thermal Properties	Value	Condition	Note
Melting Point	83-84 °C	Solv: methanol (67-56-1)	(2)CAS
Melting Point	82-85 °C	Solv: ethyl ether (60-29-7); hexane (110-54-3)	(1)CAS

Specification

98%

References

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