Video

Product No: AA6402

Methyl 2-amino-3-nitrobenzoate, 95%

Name: Methyl 2-amino-3-nitrobenzoate
Brand: Chempure

()

CAS Number

57113-91-4

Molecular Weight

196.16

Formula

C8H8N2O4

Total BLR Stock

Bulk Quote

Pack Size	Qty	Lead Time	Price	Quantity

About this item

IUPAC name	methyl 2-amino-3-nitrobenzoate
canonical smiles	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N
inchi	InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
inchi key	HDCLJQZLTMJECA-UHFFFAOYSA-N
molecular formula	C8H8N2O4
synonyms	Methyl 2-amino-3-nitrobenzoate 57113-91-4 2-Amino-3-nitrobenzoic acid methyl ester 2-Amino-3-nitro-benzoic acid methyl ester Methyl 3-Nitroanthranilate

Computed Properties

Molecular Weight:	196.16 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	2
Exact Mass:	196.04840674 g/mol
Monoisotopic Mass:	196.04840674 g/mol
Topological Polar Surface Area:	98.1 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	238
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

3-Nitrotoluene

2,6-Dinitrotoluene

2,6-Dinitrophenol

2-Chloro-1,3-dinitrobenzene

2,6-Dinitro-p-cresol

1,2-Dimethyl-4-nitrobenzene

2,3,4,5-Tetrachloronitrobenzene

2,3-Dichloronitrobenzene

3-Nitrobenzaldehyde

4-Chloro-2,6-dinitroaniline

3-Nitrobenzyl chloride

3-Nitrobenzamide

3-Nitrobenzotrifluoride

3-Nitrobenzoyl chloride

3'-Nitroacetophenone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (92.68%)
precautionary statement codes	P264, P270, P301+P317, P330, and P501
hazard statements	H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral]

;

About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AA6402

Methyl 2-amino-3-nitrobenzoate, 95%

Product No: AA6402

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6402

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?