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2-CHLOROHYDROCINNAMONITRILE - 93%, high purity , CAS No.7315-17-5

COA

Grade & Purity:

≥93%

Cas Number: 7315-17-5
Molecular Weight: 165.62
MDL number: MFCD00019873
PubChem CID: 580668
PubChem SID: 488190421

In stock

Item Number

C194792

Grouped product items
SKU	Size	Availability	Price
C194792-1g	1g	4	$42.90
C194792-5g	5g	2	$192.90
C194792-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$865.90

Discover 2-CHLOROHYDROCINNAMONITRILE by Aladdin Scientific in 93% for only $42.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Benzenepropanenitrile,2-chloro- \| Benzenepropanenitrile, 2-chloro- \| 3-(2-Chlorophenyl)propanenitrile \| FT-0636432 \| 2-DEOXYCYTIDINE5-TRIPHOSPHATEDISODIUMSALT \| A19109 \| 3-(2-Chlorophenyl)propionitrile \| FS-1540 \| AKOS009157730 \| EN300-79486 \| 3-(0-chloro
Specifications & Purity	≥93%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	description： 2-Chlorohydrocinnamonitrile is the thermal degradation product of 2-chlorobenzylidenemalononitrile (CS riot control agent). application： 2-Chlorohydrocinnamonitrile was used as analytical standard for the GC-MS detection of 2-chlorobenzylidenemalononitrile (CS riot control agent).

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	Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

Pubchem Sid	488190421
IUPAC Name	3-(2-chlorophenyl)propanenitrile
INCHI	InChI=1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
InChIKey	MMTXIUJWFHJGBA-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CCC#N)Cl
Isomeric SMILES	C1=CC=C(C(=C1)CCC#N)Cl
WGK Germany	3
Molecular Weight	165.62
Reaxy-Rn	2045338
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045338&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.

3 results found

Lot Number	Certificate Type	Date	Item
K2120288	Certificate of Analysis	Sep 11, 2024	C194792
K2120289	Certificate of Analysis	Sep 11, 2024	C194792
K2120293	Certificate of Analysis	Sep 11, 2024	C194792

Chemical and Physical Properties

Refractive Index	1.539
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	83 °C
Molecular Weight	165.620 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	165.035 Da
Monoisotopic Mass	165.035 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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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