Home Other Building Blocks 3-Chloro-1,2-propanediol

3-Chloro-1,2-propanediol

CAS No.:
96-24-2
Catalog Number:
AG00364U
Molecular Formula:
C3H7ClO2
Molecular Weight:
110.5395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$63
- +
500g
95%
In Stock USA
United States
$172
- +
Product Description
Catalog Number:
AG00364U
Chemical Name:
3-Chloro-1,2-propanediol
CAS Number:
96-24-2
Molecular Formula:
C3H7ClO2
Molecular Weight:
110.5395
MDL Number:
MFCD00004712
IUPAC Name:
3-chloropropane-1,2-diol
InChI:
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChI Key:
SSZWWUDQMAHNAQ-UHFFFAOYSA-N
SMILES:
OCC(CCl)O
EC Number:
202-492-4
RTECS Number:
TY4025000
UN Number:
2689
Properties
Complexity:
32  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.013g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
110.537g/mol
Monoisotopic Mass:
110.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
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Twenty-six-week oral carcinogenicity study of 3-monochloropropane-1,2-diol in CB6F1-rasH2 transgenic mice. Archives of toxicology 20170101
Pathway of 3-MCPD-induced apoptosis in human embryonic kidney cells. The Journal of toxicological sciences 20170101
3-Monochloro-1,2-propanediol (3-MCPD) induces apoptosis via mitochondrial oxidative phosphorylation system impairment and the caspase cascade pathway. Toxicology 20161130
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Proteomic analysis of 3-MCPD and 3-MCPD dipalmitate toxicity in rat testis. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20150901
Transitory loss of glia and the subsequent modulation in inflammatory cytokines/chemokines regulate paracellular claudin-5 expression in endothelial cells. Journal of neuroimmunology 20150715
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MRI characterisation of a novel rat model of focal astrocyte loss. Magma (New York, N.Y.) 20041201
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Ketone bodies could support the motility but not the acrosome reaction of mouse sperm. International journal of andrology 20040601
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3-monochloropropane-1,2-diol does not cause neurotoxicity in vitro or neurobehavioral deficits in rats. Neurotoxicology 20040301
Development of an analytical method for 3-monochloropropane-1,2-diol in soy sauce using 4-heptanone as derivatizing agent. Food additives and contaminants 20040301
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[Survey of 3-monochloropropane-1,2-diol in soy sauce and similar products]. Wei sheng yan jiu = Journal of hygiene research 20010101
Determination of 3-chloro-1,2-propanediol in foods and food ingredients by gas chromatography with mass spectrometric detection: collaborative study. Journal of AOAC International 20010101
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Involvement of cytochrome P4502E1 in the toxicity of dichloropropanol to rat hepatocyte cultures. Toxicology 19970328
Characterization of a novel enantioselective halohydrin hydrogen-halide-lyase. Applied and environmental microbiology 19940401
Resolution and some properties of enzymes involved in enantioselective transformation of 1,3-dichloro-2-propanol to (R)-3-chloro-1,2-propanediol by Corynebacterium sp. strain N-1074. Journal of bacteriology 19921201
Properties