Crotyl chloride

CAT: 0024-sc-234427Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-234427Size:100 mL

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CAS Number

591-97-9

Chemical Information

Crotyl chloride

used as a reagent in organic synthesis

CAS Number	591-97-9
PubChem CID	11589
IUPAC Name	1-chlorobut-2-ene
Molecular Formula	C4H7Cl
Molecular Weight	90.55
XLogP	1.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	30

SMILES

CC=CCCl

InChI

InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3

InChIKey

YTKRILODNOEEPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 591-97-9

CID: 11589

Formula: C4H7Cl

MW: 90.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.55
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	90.0236279
Monoisotopic Mass	90.0236279
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255034	Crotyl bromide
sc-239586	Crotyl alcohol, mixture of cis and trans
sc-279274	Lithium chloride-potassium chloride
sc-202904A	Acetylcholine chloride
sc-235244	Geranyl chloride
sc-211136	Cotarnine Chloride
sc-500709	Desmosine Chloride
sc-228908	Pentadecafluorooctanoyl chloride
sc-207610A	Edrophonium chloride
sc-215905	Stearoyl chloride

Catalog	Name
OR5497	Crotyl chloride
C26805-01	Crotyl chloride 95%
C26815-01	Trans-Crotyl chloride 95%
FC167277-01	Crotyl chloride - mixture of cis- and trans-isomers
163211	Crotyl Mercaptan
OR1044222	Crotyl bromide
C26770-01	Crotyl acrylate
OR49073	Crotyl alcohol
OR1044152-01	Trans-crotyl bromide
445144-01	Crotyl Bromide, Technical Grade