Products for Research Use Only
RegisterLogin

2-Chloro-5-nitrotoluene

CAT: 0572-TRC-C597145-10GSize: 10 gDry Ice: NoHazardous: Yes
Product image 1
1 / 1
CAT#:0572-TRC-C597145-10GSize:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13290-74-9
Hazard Statement
Harmful if swallowed; UN number: UN3457; Packing Group: III
Smiles
Cc1cc(ccc1Cl)[N+](=O)[O-]
Molecular Formula
C7 H6 Cl N O2
Molecular Weight
171.58
InChI
InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
Additionnal Information
IUPAC name: 1-chloro-2-methyl-4-nitrobenzene
Shipping Conditions
Room Temperature

Chemical Information

Benzene, 1-chloro-2-methyl-4-nitro-
CAS Number13290-74-9
PubChem CID83315
IUPAC Name1-chloro-2-methyl-4-nitrobenzene
Molecular FormulaC7H6ClNO2
Molecular Weight171.58
XLogP3.3
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey
BGDCQZFFNFXYQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1-chloro-2-methyl-4-nitro-
CAS: 13290-74-9
CID: 83315
Formula: C7H6ClNO2
MW: 171.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.58
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass171.0087061
Monoisotopic Mass171.0087061
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
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-C374880-10G2-Chloro-4-nitrotoluene
TRC-C374880-250G2-Chloro-4-nitrotoluene
TRC-C374880-25G2-Chloro-4-nitrotoluene
TRC-N572306-25G2-Nitrotoluene
TRC-N572306-100G2-Nitrotoluene
TRC-N572306-10G2-Nitrotoluene
N5723172-Nitrotoluene-α,α,α-d3
TRC-N572307-50MG2-Nitrotoluene-d7
TRC-N572307-500MG2-Nitrotoluene-d7
N5723274-Nitrotoluene-2,3,5,6-d4

Alternative Products

CatalogName
267314-012-Chloro-5-nitrotoluene
FC70700-015-Chloro-2-nitrotoluene
OR908513-013-Chloro-5-nitrotoluene
HAA14978-014-Acetamido-2-chloro-5-nitrotoluene
1594752-Chloro-4-fluoro-5-nitrotoluene
PC992612-Chloro-5-fluoro-6-nitrotoluene
OR15513-Chloro-2-iodo-5-nitrotoluene
OR4001142-Bromo-5-chloro-4-nitrotoluene
QBA37164-012-Bromo-4-chloro-5-nitrotoluene
OR9180012-Amino-6-chloro-5-nitrotoluene

Popular Products