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2-Chloro-4-nitrotoluene - >98.0%(GC), high purity , CAS No.121-86-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 121-86-8
Molecular Weight: 171.58
Beilstein Registry Number: 1817920
MDL number: MFCD00007210
PubChem CID: 8491
PubChem SID: 488180814

In stock

Item Number

C153291

Grouped product items
SKU	Size	Availability	Price
C153291-5g	5g	2	$9.90
C153291-25g	25g	3	$26.90
C153291-100g	100g	1	$95.90

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Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	SY013503 \| Benzene, 2-chloro-1-methyl-4-nitro- \| 2-Chloro-1-methyl-4-nitrobenzene \| 2-chloro-1-methyl-4-nitro-benzene \| A804797 \| VS-07305 \| 4-05-00-00855 (Beilstein Handbook Reference) \| STL289920 \| 2-Chlor-4-nitrotoluen \| AC-22503 \| 2-Chloro-4-nitrotolu
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	FT-IR and FT-Raman spectra of 2-chloro-4-nitrotoluene have been studied in the regions 4000-400 and 4000-100 cm-1.

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	488180814
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180814
IUPAC Name	2-chloro-1-methyl-4-nitrobenzene
INCHI	InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey	LLYXJBROWQDVMI-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Isomeric SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
WGK Germany	2
RTECS	XS9100000
Molecular Weight	171.58
Beilstein	1817920
Reaxy-Rn	1817924
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817924&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
K1707072	Certificate of Analysis	Jun 12, 2025	C153291
C23181033	Certificate of Analysis	Dec 22, 2022	C153291
C23181031	Certificate of Analysis	Dec 22, 2022	C153291
C23181034	Certificate of Analysis	Dec 22, 2022	C153291
F2307079	Certificate of Analysis	Dec 22, 2022	C153291
K2230360	Certificate of Analysis	Oct 26, 2022	C153291
K2230368	Certificate of Analysis	Oct 26, 2022	C153291
K2230367	Certificate of Analysis	Oct 26, 2022	C153291
K2230370	Certificate of Analysis	Oct 26, 2022	C153291
K2230375	Certificate of Analysis	Oct 26, 2022	C153291
K2230362	Certificate of Analysis	Oct 26, 2022	C153291

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Chemical and Physical Properties

Flash Point(°F)	212 °F
Flash Point(°C)	100 °C
Boil Point(°C)	260°C(lit.)
Melt Point(°C)	63 °C
Molecular Weight	171.580 g/mol
XLogP3	3.400
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

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