2-Bromo-4-nitrobenzoic Acid - CAS 16426-64-5

Catalog:	BB012087
Product Name:	2-Bromo-4-nitrobenzoic Acid
CAS:	16426-64-5
Synonyms:	2-bromo-4-nitrobenzoic acid; 2-bromo-4-nitrobenzoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-bromo-4-nitrobenzoic acid
Description:	2-Bromo-4-nitrobenzoic Acid (CAS# 16426-64-5) is a compound useful in organic synthesis.
Molecular Weight:	246.01
Molecular Formula:	C7H4BrNO4
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)C(=O)O
InChI:	InChI=1S/C7H4BrNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:	CEXGTXNIIFSPSF-UHFFFAOYSA-N
Boiling Point:	381.6 °C at 760 mmHg
Density:	1.892 g/cm³
MDL:	MFCD00234252
LogP:	2.57870

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.93237
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.93237
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1