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3-Chloro-2-methylphenyl isothiocyanate - 98%, high purity , CAS No.19241-35-1

COA

Grade & Purity:

≥98%

Cas Number: 19241-35-1
Molecular Weight: 183.65
MDL number: MFCD00022056
PubChem CID: 140504

In stock

Item Number

C300111

Grouped product items
SKU	Size	Availability	Price	Qty
C300111-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
C300111-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90

Discover 3-Chloro-2-methylphenyl isothiocyanate by Aladdin Scientific in 98% for only $35.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	19241-35-1 \| 3-Chloro-2-Methylphenyl Isothiocyanate \| 1-chloro-3-isothiocyanato-2-methylbenzene \| 3-Chloro-2-methylphenylisothiocyanate \| Isothiocyanic acid, 3-chloro-o-tolyl ester \| Benzene, 1-chloro-3-isothiocyanato-2-methyl- \| MFCD00022056 \| NSC134676 \| SCHEMBL945215 \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Toluenes Aryl chlorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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

IUPAC Name	1-chloro-3-isothiocyanato-2-methylbenzene
INCHI	InChI=1S/C8H6ClNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChIKey	ZXEZATIRZLJXFU-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1Cl)N=C=S
Isomeric SMILES	CC1=C(C=CC=C1Cl)N=C=S
Molecular Weight	183.65
Reaxy-Rn	2717658
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2717658&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.660 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	182.991 Da
Monoisotopic Mass	182.991 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	177.000
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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