Home Nitriles [(2-Chlorophenyl)methylene]malononitrile

[(2-Chlorophenyl)methylene]malononitrile

CAS No.:
2698-41-1
Catalog Number:
AG003CPX
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$73
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003CPX
Chemical Name:
[(2-Chlorophenyl)methylene]malononitrile
CAS Number:
2698-41-1
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
MDL Number:
MFCD00019784
IUPAC Name:
2-[(2-chlorophenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
InChI Key:
JJNZXLAFIPKXIG-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1Cl)C#N
EC Number:
220-278-9
UNII:
D8317IAV7Q
RTECS Number:
OO3675000
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.614g/mol
Monoisotopic Mass:
188.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
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Evaluation of CS (o-chlorobenzylidene malononitrile) concentrations during U.S. Army mask confidence training. Journal of environmental health 20111001
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Allergic contact dermatitis due to CS spray. Emergency medicine journal : EMJ 20110401
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Analogues of morphanthridine and the tear gas dibenz[b,f][1,4]oxazepine (CR) as extremely potent activators of the human transient receptor potential ankyrin 1 (TRPA1) channel. Journal of medicinal chemistry 20101014
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Lesions in the Larynx of Wistar RccHan: WIST Rats. Journal of toxicologic pathology 20091201
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Tear gasses CN, CR, and CS are potent activators of the human TRPA1 receptor. Toxicology and applied pharmacology 20080901
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Analysis of trace amount of bank dye and lachrymators from exploding bank devices by solid-phase microextraction and gas chromatography-mass spectrometry. Journal of chromatographic science 20060201
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[Medical aspects of the lacrimator CS]. Harefuah 20030601
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Chemical casualties. Sensory incapacitants. Journal of the Royal Army Medical Corps 20021201
U.S. Marine Corps Amphibious Reconnaissance (Recon) students requiring hospitalization with pulmonary edema after strenuous exercise following exposure to o-chloro-benzylidenemalonitrile. Military medicine 20021101
An evaluation of the relative potential public health concern for the self-defense spray active ingredients oleoresin capsicum, o-chlorobenzylidene malononitrile, and 2-chloroacetophenone. Regulatory toxicology and pharmacology : RTP 20020801
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Effect of oleoresin capsicum (OC) and ortho-chlorobenzylidene malononitrile (CS) on ciliary beat frequency. Toxicology 20010828
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An assessment of four solvents for the recovery of 2-chlorobenzylidenemalononitrile and capsaicins from 'CS' and 'Pepper' type lachrymator sprays, and an examination of their persistence on cotton fabric. Journal of forensic sciences 20010301
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Properties