Skip to the beginning of the images gallery

2-Chloro-5-nitrotoluene - 99%, high purity , CAS No.13290-74-9

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 13290-74-9
Molecular Weight: 171.58
Beilstein Registry Number: 2044766
EC Number: 236-306-8
MDL number: MFCD00041430
PubChem CID: 83315
PubChem SID: 504755666

In stock

Item Number

N121710

Grouped product items
SKU	Size	Availability	Price
N121710-10g	10g	3	$25.90
N121710-25g	25g	3	$49.90
N121710-100g	100g	3	$177.90
N121710-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$375.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-39500 \| Benzene, 1-chloro-2-methyl-4-nitro- \| MFCD00041430 \| O10395 \| 5-Nitro-2-chlorotoluene \| EINECS 236-306-8 \| FT-0611839 \| A806523 \| 3-Nitro-6-chlorotoluene \| 2-Methyl-4-nitrochlorobenzene \| AKOS005134013 \| 2-Chloro-5-nitrotoluene \| 2-chloro-5-
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504755666
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755666
IUPAC Name	1-chloro-2-methyl-4-nitrobenzene
INCHI	InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey	BGDCQZFFNFXYQC-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
Isomeric SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
WGK Germany	3
UN Number	3457
Molecular Weight	171.58
Beilstein	2044766
Reaxy-Rn	2044766
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044766&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
L1727024	Certificate of Analysis	Jul 09, 2025	N121710
A2128156	Certificate of Analysis	Dec 17, 2024	N121710
A2128155	Certificate of Analysis	Dec 17, 2024	N121710
L2418852	Certificate of Analysis	Apr 28, 2024	N121710
D1902149	Certificate of Analysis	Jan 05, 2023	N121710
E2231046	Certificate of Analysis	Mar 24, 2022	N121710
D2321367	Certificate of Analysis	Mar 24, 2022	N121710
E2231065	Certificate of Analysis	Mar 24, 2022	N121710
D2321365	Certificate of Analysis	Mar 24, 2022	N121710
E2231060	Certificate of Analysis	Mar 24, 2022	N121710
E2231047	Certificate of Analysis	Mar 24, 2022	N121710

Show more⌵

Chemical and Physical Properties

Boil Point(°C)	96°C/3.8mmHg
Melt Point(°C)	44°C
Molecular Weight	171.580 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	171.009 Da
Monoisotopic Mass	171.009 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration