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Home Other Building Blocks 2-Chloroethyl Isocyanate

2-Chloroethyl Isocyanate

CAS No.:
1943-83-5
Catalog Number:
AG00339A
Molecular Formula:
C3H4ClNO
Molecular Weight:
105.5230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$75
- +
100g
95%
In Stock USA
United States
$219
- +
Product Description
Catalog Number:
AG00339A
Chemical Name:
2-Chloroethyl Isocyanate
CAS Number:
1943-83-5
Molecular Formula:
C3H4ClNO
Molecular Weight:
105.5230
MDL Number:
MFCD00002043
IUPAC Name:
1-chloro-2-isocyanatoethane
InChI:
InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2
InChI Key:
BCMYXYHEMGPZJN-UHFFFAOYSA-N
SMILES:
ClCCN=C=O
EC Number:
217-734-4
NSC Number:
87418
Properties
Complexity:
67.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.998g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
105.521g/mol
Monoisotopic Mass:
104.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microwave spectrum and conformational composition of 2-chloroethylisocyanide. The journal of physical chemistry. A 20111124
2-Chloroethylisocyanate. Thermal decomposition and spectroscopic properties. The journal of physical chemistry. A 20110811
Design, synthesis, biological evaluation, and structure-activity relationships of substituted phenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonates as new tubulin inhibitors mimicking combretastatin A-4. Journal of medicinal chemistry 20110714
Anomeric O-acylation of Kdo using alkyl and aryl isocyanates. Carbohydrate research 20051212
Differential inhibition of cellular glutathione reductase activity by isocyanates generated from the antitumor prodrugs Cloretazine and BCNU. Biochemical pharmacology 20050515
Carbamoylating chemoresistance induced by cobalt pretreatment in C6 glioma cells: putative roles of hypoxia-inducible factor-1. British journal of pharmacology 20040301
Properties