Methyl 2-Bromo-3-nitrobenzoate - CAS 5337-09-7

Catalog:	BB028182
Product Name:	Methyl 2-Bromo-3-nitrobenzoate
CAS:	5337-09-7
Synonyms:	2-bromo-3-nitrobenzoic acid methyl ester; methyl 2-bromo-3-nitrobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-3-nitrobenzoate
Description:	Methyl 2-Bromo-3-nitrobenzoate (CAS# 5337-09-7) is an halogenated benzoic acid and an intermediate in the synthesis of anti-inflammatory drug Balsalazide (B116300).
Molecular Weight:	260.04
Molecular Formula:	C8H6BrNO4
Canonical SMILES:	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br
InChI:	InChI=1S/C8H6BrNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
InChI Key:	YUWPKYJCYRFBJT-UHFFFAOYSA-N
Boiling Point:	300 °C at 760 mmHg
Density:	1.673 g/cm³
Appearance:	Brown or yellow solid
LogP:	2.66710

Publication Number	Title	Priority Date
CN-110325514-A	Trisubstituted -2- alkyl -1H- benzo [d] imdazole derivatives of 1,4,6- as dihydrooratic acid oxygenase inhibitor	20170224
US-2015148550-A1	Novel compounds as chloride channel blocking agent	20131127
US-9834537-B2	Compounds as chloride channel blocking agent	20131127
AU-2014348422-A1	EBNA1 inhibitors and their method of use	20131115
AU-2014348422-B2	EBNA1 inhibitors and their method of use	20131115

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.94802
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.94802
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4