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
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 °C
Melting Point
-65 °C
Flash Point
8 °C (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.
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 |
