Methyl 3-Methyl-2-nitrobenzoate - CAS 5471-82-9

Name: Methyl 3-Methyl-2-nitrobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028801
Product Name:	Methyl 3-Methyl-2-nitrobenzoate
CAS:	5471-82-9
Synonyms:	3-methyl-2-nitrobenzoic acid methyl ester; methyl 3-methyl-2-nitrobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-methyl-2-nitrobenzoate
Description:	Methyl 3-Methyl-2-nitrobenzoate (CAS# 5471-82-9) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
InChI:	InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3
InChI Key:	NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Boiling Point:	286.3 °C at 760 mmHg
Density:	1.255 g/cm³
MDL:	MFCD01003947
LogP:	2.21300

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302+H312+H332 (33.33%): 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

Publication Number	Title	Priority Date
CN-112979506-A	Synthesis method of 2-chlorosulfonyl-3-methyl benzoate	20210518
CN-112979506-B	Synthesis method of 2-chlorosulfonyl-3-methyl benzoate	20210518
CN-213286750-U	Sulfuric acid feeding device for reaction kettle	20200916
CN-111848434-A	Synthetic method of 2-nitro-N, 3-dimethylbenzamide	20200805
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2