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110124

Sigma-Aldrich

1,2,3-Trichloropropane

99%

Synonym(s):

Glycerol trichlorohydrin, Trichlorohydrin

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About This Item

Linear Formula:
CH2ClCHClCH2Cl
CAS Number:
96-18-4
Molecular Weight:
147.43
Beilstein:
1732068
EC Number:
202-486-1
MDL number:
MFCD00000946
UNSPSC Code:
12352100
eCl@ss:
39050132
PubChem Substance ID:
24846961
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.484 (lit.)

bp

156 °C (lit.)

mp

−14 °C (lit.)

density

1.387 g/mL at 25 °C (lit.)

SMILES string

ClCC(Cl)CCl

InChI

1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

InChI key

CFXQEHVMCRXUSD-UHFFFAOYSA-N

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General description

1,2,3-Trichloropropane is reductively dehalogenated by the anaerobic bacterial strain within chloroflexi.

Application

1,2,3-trichloropropane has been used to study its reaction with OH regarding it spotential atmospheric relevance.

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Carc. 1B - Eye Irrit. 2 - Muta. 2 - Repr. 1B - STOT RE 1 Inhalation

Target Organs

Kidney,Liver,Mucous membranes

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

165.2 °F - closed cup

Flash Point(C)

74 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBW3417
BCBS4313V
BCBS2980V
BCBS0992V
BCBR5301V

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Rate constants for the reactions of OH with chlorinated propanes.
Yujing M and Mellouki A.
Physical Chemistry Chemical Physics, 3(13), 2614-2617 (2001)
Marcin Podsiadło et al.
Acta crystallographica. Section B, Structural science, 62(Pt 6), 1071-1077 (2006-11-17)
The structure of 1,2,3-trichloropropane, ClCH2CHClCH2Cl, in-situ crystallized in a diamond-anvil cell, has been determined by single-crystal X-ray diffraction at 0.28 and 0.35 GPa. A melting point at 295 K and 0.22 GPa has been determined. The molecular conformation of aliphatic
Martin Klvana et al.
Journal of molecular biology, 392(5), 1339-1356 (2009-07-07)
Eight mutants of the DhaA haloalkane dehalogenase carrying mutations at the residues lining two tunnels, previously observed by protein X-ray crystallography, were constructed and biochemically characterized. The mutants showed distinct catalytic efficiencies with the halogenated substrate 1,2,3-trichloropropane. Release pathways for
J Yan et al.
Environmental microbiology, 11(4), 833-843 (2009-04-28)
Two strictly anaerobic bacterial strains were isolated from contaminated groundwater at a Superfund site located near Baton Rouge, LA, USA. These strains represent the first isolates reported to reductively dehalogenate 1,2,3-trichloropropane. Allyl chloride (3-chloro-1-propene), which is chemically unstable, was produced
Hui Han
Basic & clinical pharmacology & toxicology, 107(6), 988-990 (2010-09-10)
1,2,3-Trichloropropane is widely used in industrial and agricultural production. However 1,2,3-trichloropropane poisoning has been rarely encountered in clinical practices. Here, a 45-year-old farmer who suffered fulminant hepatic failure due to ingestion of 1,2,3-trichloropropane has been reported and literature about 1,2,3-trichloropane
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