Home Halogens (trichloromethyl)oxirane

(trichloromethyl)oxirane

CAS No.:
3083-23-6
Catalog Number:
AG00BFE3
Molecular Formula:
C3H3Cl3O
Molecular Weight:
161.4143
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Product Description
Catalog Number:
AG00BFE3
Chemical Name:
(trichloromethyl)oxirane
CAS Number:
3083-23-6
Molecular Formula:
C3H3Cl3O
Molecular Weight:
161.4143
MDL Number:
MFCD00055951
IUPAC Name:
2-(trichloromethyl)oxirane
InChI:
InChI=1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChI Key:
VFEXYZINKMLLAK-UHFFFAOYSA-N
SMILES:
ClC(C1OC1)(Cl)Cl
EC Number:
221-384-8
NSC Number:
136558
Properties
Complexity:
76.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.925g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.406g/mol
Monoisotopic Mass:
159.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
[The clinical analysis of 18 cases with acute trichloropropane poisoning]. Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases 20120401
An atom-efficient and practical synthesis of new pyridinium ionic liquids and application in Morita-Baylis-Hillman reaction. Ultrasonics sonochemistry 20080901
Microsomal biotransformation of benzo[ghi]perylene, a mutagenic polycyclic aromatic hydrocarbon without a 'classic' bay region. Chemical research in toxicology 20050401
[Experimental study of xenogeneic heart valve material]. Zhongguo xiu fu chong jian wai ke za zhi = Zhongguo xiufu chongjian waike zazhi = Chinese journal of reparative and reconstructive surgery 20031101
The metabolism of beta-chloroprene: preliminary in-vitro studies using liver microsomes. Chemico-biological interactions 20010601
Stereoselective epoxidation and hydration at the K-region of polycyclic aromatic hydrocarbons by cDNA-expressed cytochromes P450 1A1, 1A2, and epoxide hydrolase. Biochemistry 19961210
Phenytoin embryopathy: effect of epoxide hydrolase inhibitor on phenytoin exposure in utero in C57BL/6J mice. Biochemical and molecular medicine 19951201
Influence of modulators of epoxide metabolism on the cytotoxicity of trans-anethole in freshly isolated rat hepatocytes. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 19920601
Halothane hepatitis. Detection of a constitutional susceptibility factor. The New England journal of medicine 19851121
Properties