sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-Chloro-1-Butene

3-Chloro-1-Butene

CAS No.:
563-52-0
Catalog Number:
AG0033NA
Molecular Formula:
C4H7Cl
Molecular Weight:
90.5514
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$174
- +
100g
>98.0%(GC)
1 week
United States
$391
- +
Product Description
Catalog Number:
AG0033NA
Chemical Name:
3-Chloro-1-Butene
CAS Number:
563-52-0
Molecular Formula:
C4H7Cl
Molecular Weight:
90.5514
MDL Number:
MFCD00000869
IUPAC Name:
3-chlorobut-1-ene
InChI:
InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3
InChI Key:
VZGLVCFVUREVDP-UHFFFAOYSA-N
SMILES:
CC(C=C)Cl
EC Number:
209-252-8
NSC Number:
60192
Properties
Complexity:
32.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.024g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.55g/mol
Monoisotopic Mass:
90.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Chiroptical properties of (R)-3-chloro-1-butene and (R)-2-chlorobutane. The journal of physical chemistry. A 20071108
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. The journal of physical chemistry. A 20070222
Conformational effects on optical rotation. 2-Substituted butanes. The journal of physical chemistry. A 20050421
Conformational effects on optical rotation. 3-substituted 1-butenes. Journal of the American Chemical Society 20030219
Properties