2-Chloroacrylonitrile - CAS 920-37-6

Catalog:	BB040413
Product Name:	2-Chloroacrylonitrile
CAS:	920-37-6
Synonyms:	2-chloroprop-2-enenitrile

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Computed Properties

IUPAC Name:	2-chloroprop-2-enenitrile
Description:	2-Chloroacrylonitrile (CAS# 920-37-6) is a compound useful in organic synthesis.
Molecular Weight:	87.51
Molecular Formula:	C3H2ClN
Canonical SMILES:	C=C(C#N)Cl
InChI:	InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2
InChI Key:	OYUNTGBISCIYPW-UHFFFAOYSA-N
Boiling Point:	88-89 ℃
Melting Point:	-65 ℃
Flash Point:	8 ℃ (C.C)
Purity:	99 %
Density:	1.096 g/cm³
Appearance:	A liquid. boiling point 190-192°f (88-89°c). density 1.096 g / cm3. flash point 44°f. highly toxic.
Storage:	Flammables area
MDL:	MFCD00001858
LogP:	1.26248
Refractive Index:	1.43

Publication Number	Title	Priority Date
CN-113372611-A	Super-absorbent polymer capable of improving absorption speed and preparation method and application thereof	20210607
JP-6919083-B1	Binder for thermal recording paper underlayer and composition for thermal recording paper underlayer	20210309
CN-112898510-A	Vinyl acetate-butyl acrylate in-situ copolymerization modified asphalt	20210304
JP-2021073365-A	Adhesive tape	20210210
CN-112851862-A	Environment-friendly flame-retardant plastic and preparation method thereof	20201230

PMID	Publication Date	Title	Journal
22204738	20120120	Evolution of structure and reactivity in a series of iconic carbenes	The Journal of organic chemistry
21117044	20101227	Asymmetric conjugate addition of oxindoles to 2-chloroacrylonitrile: a highly effective organocatalytic strategy for simultaneous construction of 1,3-nonadjacent stereocenters leading to chiral pyrroloindolines	Chemistry (Weinheim an der Bergstrasse, Germany)
20597479	20100806	The nucleophilic reactivity of fluoromethoxycarbene	Organic letters
21426186	20100201	Synthesis of the highly selective p38 MAPK inhibitor UR-13756 for possible therapeutic use in Werner syndrome	Future medicinal chemistry
19834941	20091123	Chiral 2-endo-substituted 9-oxabispidines: novel ligands for enantioselective copper(II)-catalyzed Henry reactions	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P273, P280, P281, P284, P285, P301+P310, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P308+P313, P310, P312, P320, P321, P322, P330, P342+P311, P361, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	86.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.9875768
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	86.9875768
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4