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4-Chloro-3-nitrotoluene - 97%, high purity , CAS No.89-60-1

COA

Grade & Purity:

≥97%

Cas Number: 89-60-1
Molecular Weight: 171.58
Beilstein Registry Number: 5329
EC Number: 201-922-8
MDL number: MFCD00007085
PubChem CID: 6976
PubChem SID: 488180228

In stock

Item Number

C121709

Grouped product items
SKU	Size	Availability	Price
C121709-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
C121709-25g	25g	3	$45.90
C121709-100g	100g	4	$164.90
C121709-500g	500g	1	$738.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	3-Nitro-4-chlorotoluene \| AC-12204 \| AKOS009159380 \| NSC60721 \| NSC-60721 \| 4-Chloro-3-nitrotoluene, technical grade \| F0001-2195 \| 1-chloranyl-4-methyl-2-nitro-benzene \| W-100369 \| 4-CHLORO-3-NITROTOLUENE \| 4-chloro-3-nitro-toluene \| EINECS 201-922-8 \| D
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Product Describtion: Vibrational spectral analysis of 4-chloro-3-nitrotoluene has been studied using Raman and IR spectroscopy. Product Application: 4-Chloro-3-nitrotoluene was used in the synthesis of 4-(2-hydroxyethylamino)-3-nitrotoluene.

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	488180228
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180228
IUPAC Name	1-chloro-4-methyl-2-nitrobenzene
INCHI	InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey	NWESJZZPAJGHRZ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Isomeric SMILES	CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	171.58
Beilstein	5329
Reaxy-Rn	511055
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511055&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2301133	Certificate of Analysis	Nov 16, 2023	C121709
B2317620	Certificate of Analysis	Jan 02, 2023	C121709
B2317597	Certificate of Analysis	Jan 02, 2023	C121709
B2317516	Certificate of Analysis	Jan 02, 2023	C121709
B2317596	Certificate of Analysis	Jan 02, 2023	C121709
F1419059	Certificate of Analysis	Apr 22, 2022	C121709

Chemical and Physical Properties

Refractive Index	1.558
Flash Point(°F)	235.4 °F
Flash Point(°C)	129°C
Boil Point(°C)	260°C/745mmHg
Melt Point(°C)	7°C
Molecular Weight	171.580 g/mol
XLogP3	2.800
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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