Methyl 5-Bromo-2-methyl-3-nitrobenzoate - CAS 220514-28-3

Catalog:	BB017325
Product Name:	Methyl 5-Bromo-2-methyl-3-nitrobenzoate
CAS:	220514-28-3
Synonyms:	5-bromo-2-methyl-3-nitrobenzoic acid methyl ester; methyl 5-bromo-2-methyl-3-nitrobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-methyl-3-nitrobenzoate
Description:	Methyl 5-Bromo-2-methyl-3-nitrobenzoate (CAS# 220514-28-3) is a useful research chemical.
Molecular Weight:	274.07
Molecular Formula:	C9H8BrNO4
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)OC)Br)[N+](=O)[O-]
InChI:	InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
InChI Key:	UPBDNPCJIJAMPI-UHFFFAOYSA-N
Boiling Point:	329.563 °C at 760 mmHg
Density:	1.597 g/cm³
MDL:	MFCD07781280
LogP:	2.97550

Publication Number	Title	Priority Date
WO-2021084264-A1	Isoquinoline derivatives as sik2 inhibitors	20191031
WO-2021084265-A1	Isoquinoline derivatives as sik2 inhibitors	20191031
WO-2020020374-A1	Polysubstituted benzene compound and preparation method and use thereof	20180727
CN-111683936-A	Polysubstituted benzene ring compound, preparation method and application thereof	20180727
AU-2019312416-A1	Polysubstituted benzene compound and preparation method and use thereof	20180727

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.96367
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.96367
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7