Products for Research Use Only
RegisterLogin

2-Methyl-5-nitrobenzoic Acid

CAT: 0572-TRC-M323685-10GSize: 10 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M323685-10GSize:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1975-52-6
Hazard Statement
No Data Available
Smiles
Cc1ccc(cc1C(=O)O)[N+](=O)[O-]
Molecular Formula
C8 H7 N O4
Molecular Weight
181.15
InChI
InChI=1S/C8H7NO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
Additionnal Information
IUPAC name: 2-methyl-5-nitrobenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methyl-5-nitrobenzoic acid

2-methyl-5-nitrobenzoic acid appears as needles or beige solid. (NTP, 1992)

CAS Number1975-52-6
PubChem CID519683
IUPAC Name2-methyl-5-nitrobenzoic acid
Molecular FormulaC8H7NO4
Molecular Weight181.15
XLogP2.1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity223
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H7NO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
DJRFJAVPROZZFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-5-nitrobenzoic acid
CAS: 1975-52-6
CID: 519683
Formula: C8H7NO4
MW: 181.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.15
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass181.03750770
Monoisotopic Mass181.03750770
Topological Polar Surface Area83.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-M325545-25G2-Methyl-nitrobenzoic Acid
TRC-M325545-10G2-Methyl-nitrobenzoic Acid
TRC-M325545-5G2-Methyl-nitrobenzoic Acid
TRC-M320435-100G2-Methyl-4-nitrobenzoic Acid
TRC-M320435-25G2-Methyl-4-nitrobenzoic Acid
TRC-M320435-5G2-Methyl-4-nitrobenzoic Acid
TRC-M328170-2.5MG2-(4-Methylphenoxy)-5-nitrobenzoic Acid Methyl Ester
TRC-M328170-10MG2-(4-Methylphenoxy)-5-nitrobenzoic Acid Methyl Ester
TRC-M328170-25MG2-(4-Methylphenoxy)-5-nitrobenzoic Acid Methyl Ester
TRC-M320200-500MG2-Methyl-6-nitrobenzoic Acid Methyl Ester

Alternative Products

CatalogName
HY-W016450-015-Methyl-2-nitrobenzoic acid
281583-012-Methyl-5-nitrobenzoic acid
M22888-012-Methyl-5-nitrobenzoic acid 99%
1597012-Methyl-nitrobenzoic Acid
MHC78011-014-Fluoro-5-methyl-2-nitrobenzoic acid
EGA257815-Chloro-2-methyl-3-nitrobenzoic acid
416100-012-Bromo-5-nitrobenzoic Acid Methyl Ester
OR1060723-014-Methoxy-2-methyl-5-nitrobenzoic acid
OR78007-015-Iodo-2-methyl-3-nitrobenzoic acid
PC400720-015-Fluoro-2-Methyl-3-nitrobenzoic acid

Popular Products