2-Chloroacrylonitrile

Product Information

Molecular Formula:
C3H2ClN
Molecular Weight:
87.51
Description
2-Chloroacrylonitrile (CAS# 920-37-6) is a compound useful in organic synthesis.
Synonyms
2-chloroprop-2-enenitrile
IUPAC Name
2-chloroprop-2-enenitrile
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
Refractive Index
1.43
LogP
1.26248

Safety Information

Hazards
H225:
Highly flammable liquid and vapour.
H300:
Fatal if swallowed.
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H350:
May cause cancer.
H400:
Very toxic to aquatic life.
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

Computed Properties

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

Patents

Publication Number Title Priority Date
CN-113816955-A RET kinase inhibitor intermediate and preparation method thereof 2021-09-29
CN-113754561-A Production method of 2-chloropropene nitrile and application thereof in synthesis of chlorfenapyr 2021-08-20
CN-113387947-A Pyrazolopyridine derivatives that modulate estrogen receptor synthesis activity 2021-07-12
CN-113372611-A Super-absorbent polymer capable of improving absorption speed and preparation method and application thereof 2021-06-07
JP-6919083-B1 Binder for thermal recording paper underlayer and composition for thermal recording paper underlayer 2021-03-09
CN-112898510-A Vinyl acetate-butyl acrylate in-situ copolymerization modified asphalt 2021-03-04
JP-2021073365-A Adhesive tape 2021-02-10
CN-112920493-A Special environment-friendly high polymer material for optical cable and preparation method thereof 2021-02-04
CN-112851862-A Environment-friendly flame-retardant plastic and preparation method thereof 2020-12-30
CN-112645869-A Preparation method of chlorpheniramine maleate intermediate 2020-12-25

Literatures

PMID Publication Date Title Journal
22204738 2012-01-20 Evolution of structure and reactivity in a series of iconic carbenes The Journal of organic chemistry
21117044 2010-12-27 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 2010-08-06 The nucleophilic reactivity of fluoromethoxycarbene Organic letters
21426186 2010-02-01 Synthesis of the highly selective p38 MAPK inhibitor UR-13756 for possible therapeutic use in Werner syndrome Future medicinal chemistry
19834941 2009-11-23 Chiral 2-endo-substituted 9-oxabispidines: novel ligands for enantioselective copper(II)-catalyzed Henry reactions Chemistry (Weinheim an der Bergstrasse, Germany)
19354228 2009-05-07 Latent nucleophilicity of dichlorocarbene Organic letters
16551098 2006-03-29 Dual-function cinchona alkaloid catalysis: catalytic asymmetric tandem conjugate addition-protonation for the direct creation of nonadjacent stereocenters Journal of the American Chemical Society
16277355 2005-09-30 A short synthesis of 10-hydroxy 7-spirocyclopropanated camphor The Journal of organic chemistry
15046778 2004-06-01 Effects of aliphatic nitriles in micromass cultures of rat embryo limb bud cells Toxicology in vitro : an international journal published in association with BIBRA
12027680 2002-05-31 A novel bornane synthesis by an old idea The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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