3-Chloro-1,2-propanediol

Base Information Edit

Chemical Name:3-Chloro-1,2-propanediol
CAS No.:96-24-2
Deprecated CAS:52340-46-2,69420-22-0
Molecular Formula:C3H7ClO2
Molecular Weight:110.54
Hs Code.:29055998
European Community (EC) Number:202-492-4
ICSC Number:1664
UN Number:2689
UNII:QGS78A3T6P
DSSTox Substance ID:DTXSID4020664
Nikkaji Number:J3.965I
Wikipedia:3-MCPD
Wikidata:Q223066
RXCUI:2396781
Metabolomics Workbench ID:44829
ChEMBL ID:CHEMBL3185949
Mol file:96-24-2.mol

Synonyms:3 Chloro 1,2 propanediol;3 Chloropropanediol;3 Monochloropropane 1,2 diol;3-Chloro-1,2-propanediol;3-Chloropropanediol;3-MCPD;3-monochloropropane-1,2-diol;alpha Chlorhydrin;alpha Chlorohydrin;alpha-Chlorhydrin;alpha-Chlorohydrin;alpha-Monochlorohydrin, Glycerol;Glycerol alpha Monochlorohydrin;Glycerol alpha-Monochlorohydrin;U 5897;U-5897;U5897

Suppliers and Price of 3-Chloro-1,2-propanediol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3-Chloro-1,2-propanediol
100mg
$ 418.00

TRC
3-Chloro-1,2-propanediol
100mg
$ 145.00

TRC
3-Chloro-1,2-propanediol
25mg
$ 95.00

TCI Chemical
3-Chloro-1,2-propanediol >98.0%(GC)
500g
$ 30.00

TCI Chemical
3-Chloro-1,2-propanediol >98.0%(GC)
25g
$ 16.00

Sigma-Aldrich
(±)-3-Chloro-1,2-propanediol analytical standard
100mg
$ 136.00

Sigma-Aldrich
(±)-3-Chloro-1,2-propanediol 98%
500ml
$ 34.90

Sigma-Aldrich
(±)-3-Chloro-1,2-propanediol 98%
25ml
$ 16.50

Oakwood
3-Chloropropane-1,2-diol 96%
5g
$ 11.00

Medical Isotopes, Inc.
3-Chloro-1,2-propanediol
25 g
$ 340.00

Total 3 raw suppliers

Chemical Property of 3-Chloro-1,2-propanediol Edit

Chemical Property:

Appearance/Colour:Clear pale yellow liquid
Vapor Pressure:0.04 mm Hg ( 25 °C)
Melting Point:-40 °C
Refractive Index:n20/D 1.480(lit.)
Boiling Point:213 °C at 760 mmHg
PKA:13.28±0.20(Predicted)
Flash Point:113.3 °C
PSA：40.46000
Density:1.322 g/cm³
LogP:-0.42160
Storage Temp.:2-8°C
Solubility.:H2O: soluble
Water Solubility.:Soluble
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:110.0134572
Heavy Atom Count:6
Complexity:32
Transport DOT Label:Poison

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-1,2-propanediol ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 60-21-23/25-41-39-36-23/24/25-40
Safety Statements: 53-26-36-39-45-38-36/37/39-28A-36/37

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Halogenated Alcohols
Canonical SMILES:C(C(CCl)O)O
Inhalation Risk:A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system.
Effects of Long Term Exposure:The substance may have effects on the kidneys. This may result in kidney impairment. Tumours have been detected in experimental animals but may not be relevant to humans. Animal tests show that this substance possibly causes toxicity to human reproduction or development.
Description 3-Chloro-1, 2-propanediol is unusually formed upon the thermal processing of fat-containing foods1. It is useful in organic synthesis. It is an intermediate for the drug dyphylline; used as a solvent for acetate, etc., and as an intermediate for plasticizers, surfactants, and dyes2; be used as a solvent for preparing a plasticizer, a surfactant, a dye intermediate, a drug, or as a dye intermediate mainly for use as an acetyl fiber or the like. Also used as a plasticizer, surfactant and dye intermediate. In the pharmaceutical industry, it is used in the production of phlegm and phlegm and phlegm-removing guaiac oil ether, antiasthmatic drug theophylline, and hydroxyphylline. It is warned that it is a potential carcinogen and has antifertility activity1,3.
Uses To lower the freezing point of dynamite; in the manufacture of dye intermediates. As rodent chemosterilant. (±)-3-Chloro-1,2-propanediol may be used as a reference standard for the determination of (±)-3-chloro-1,2-propanediol in food samples by gas chromatography with mass spectrometric detection (GC-MS). It is used in the synthesis of glycerol esters,amines, and other derivatives; to lower thefreezing point of dynamite; and as a rodentchemosterilant (Merck 1989).

Technology Process of 3-Chloro-1,2-propanediol

There total 82 articles about 3-Chloro-1,2-propanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.414%

: 56-81-5,25618-55-7,64333-26-2,8013-25-0
glycerol

: 616-23-9
2,3-Dichloro-1-propanol

: 497-04-1
2-chloro-propane-1,3-diol

: 96-23-1
1,3-Dichloro-2-propanol

: 96-24-2
3-monochloro-1,2-propanediol

Guidance literature:: With hydrogenchloride; hexahydro-2H-oxepin-2-one; In water; at 110 ℃; for 4h; under 6448.83 Torr; Product distribution / selectivity;