1-Chloro-2-methylpropene

CAT: 0572-TRC-C371090-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-C371090-1GSize:1 g

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CAS Number

513-37-1

Synonyms

1-Chloro-2-methyl-1-propene; 1-Chloro-2-methylpropene; 2,2-Dimethylvinyl chloride; 2-Methyl-1-chloropropene; 2-Methyl-1-propenyl chloride; Dimethylvinyl chloride; Isocrotyl chloride; α-Chloroisobutylene; β,β-Dimethylvinyl chloride

Hazard Statement

Highly flammable liquid and vapour; UN number: UN2929; Packing Group: I

Purity

>95% (HPLC)

Smiles

ClC=C(C)C

Molecular Formula

C4 H7 Cl

Molecular Weight

90.55

InChI

InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-Propene, 1-chloro-2-methyl-

Dimethylvinylchloride can cause cancer according to an independent committee of scientific and health experts.

CAS Number	513-37-1
PubChem CID	10555
IUPAC Name	1-chloro-2-methylprop-1-ene
Molecular Formula	C4H7Cl
Molecular Weight	90.55
XLogP	2.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	41

SMILES

CC(=CCl)C

InChI

InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3

InChIKey

KWISWUFGPUHDRY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 513-37-1

CID: 10555

Formula: C4H7Cl

MW: 90.55

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	90.55
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	90.0236279
Monoisotopic Mass	90.0236279
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	41.6
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

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409480-01	1-Chloro-2-methylpropene
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JH918972	3-Chloro-2-methylpropene
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1-Chloro-2-methylpropene

Chemical Information

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