U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C4H7Cl
Molecular Weight 90.551
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-1-BUTENE

SMILES

CC(Cl)C=C

InChI

InChIKey=VZGLVCFVUREVDP-UHFFFAOYSA-N
InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3

HIDE SMILES / InChI

Molecular Formula C4H7Cl
Molecular Weight 90.551
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Conformational effects on optical rotation. 3-substituted 1-butenes.
2003 Feb 19
Conformational effects on optical rotation. 2-Substituted butanes.
2005 Apr 21
Kinetics, products, and stereochemistry of the reaction of chlorine atoms with cis- and trans-2-butene in 10-700 Torr of N2 or N2/O2 diluent at 297 K.
2007 Feb 22
Chiroptical properties of (R)-3-chloro-1-butene and (R)-2-chlorobutane.
2007 Nov 8
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:48:10 GMT 2023
Edited
by admin
on Sat Dec 16 09:48:10 GMT 2023
Record UNII
58S8R4439O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-1-BUTENE
MI  
Systematic Name English
.ALPHA.-METHALLYL CHLORIDE
Common Name English
3-CHLORO-1-BUTENE DL-FORM [MI]
Common Name English
DL-.ALPHA.-METHALLYL CHLORIDE
Common Name English
.ALPHA.-METHYLALLYL CHLORIDE
Common Name English
3-CHLORO-1-BUTENE [MI]
Common Name English
NSC-60192
Code English
1-BUTENE, 3-CHLORO-
Systematic Name English
(±)-3-CHLORO-1-BUTENE
Systematic Name English
.GAMMA.-CHLORO-.ALPHA.-BUTYLENE
Common Name English
Code System Code Type Description
NSC
60192
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY
PUBCHEM
11242
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY
MERCK INDEX
m3401
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
209-252-8
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY
CAS
563-52-0
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID50870614
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY
MERCK INDEX
m3401
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY Merck Index
FDA UNII
58S8R4439O
Created by admin on Sat Dec 16 09:48:11 GMT 2023 , Edited by admin on Sat Dec 16 09:48:11 GMT 2023
PRIMARY