1,2,3-Trichloropropane

1,2,3-Trichloropropane Structure
1,2,3-Trichloropropane structure
Common Name 1,2,3-Trichloropropane
CAS Number 96-18-4 Molecular Weight 147.43100
Density 1.387 g/mL at 25 °C(lit.) Boiling Point 156 °C(lit.)
Molecular Formula C3H5Cl3 Melting Point -14 °C
MSDS Chinese USA Flash Point 180 °F
Symbol GHS06 GHS08 GHS09
GHS06, GHS08, GHS09
Signal Word Danger

Stable chlorine isotope analysis of chlorinated acetic acids using gas chromatography/quadrupole mass spectrometry.

Rapid Commun. Mass Spectrom. 29 , 2341-8, (2015)

The environmental occurrence of chlorinated acetic acids (CAAs) has been extensively studied, but the sources and transport are still not yet fully understood. A promising approach for source apportionment and process studies is the isotopic characterization ...

Development of QSAR models for predicting hepatocarcinogenic toxicity of chemicals.

Eur. J. Med. Chem. 44 , 3658-64, (2009)

A dataset comprising 55 chemicals with hepatocarcinogenic potency indices was collected from the Carcinogenic Potency Database with the aim of developing QSAR models enabling prediction of the above unwanted property for New Chemical Entities. The dataset was...

Optimizations of packed sorbent and inlet temperature for large volume-direct aqueous injection-gas chromatography to determine high boiling volatile organic compounds in water.

J. Chromatogr. A. 1356 , 221-9, (2014)

For the expanded application area, fast trace analysis of certain high boiling point (i.e., 150-250 °C) volatile organic compounds (HVOCs) in water, a large volume-direct aqueous injection-gas chromatography (LV-DAI-GC) method was optimized for the following ...

Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling.

J. Comput. Aided Mol. Des. 20(6) , 375-83, (2006)

1,2,3-Trichloropropane (TCP) is a highly toxic, recalcitrant byproduct of epichlorohydrin manufacture. Haloalkane dehalogenase (DhaA) from Rhodococcus sp. hydrolyses the carbon-halogen bond in various halogenated compounds including TCP, but with low efficien...

Effects of iron type in Fenton reaction on mineralization and biodegradability enhancement of hazardous organic compounds.

J. Hazard. Mater. 161(2-3) , 1024-34, (2009)

The mineralization and biodegradability increase and their combination of two traditional and two relatively new organic contaminants by Fenton reagents with three different types of iron, Fe(2+), Fe(3+), and Fe(0) were investigated. The traditional contamina...

Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations.

J. Mol. Biol. 392(5) , 1339-56, (2009)

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...

Pressure-frozen 1,2,3-trichloropropane.

Acta Crystallogr. B 62(Pt 6) , 1071-7, (2006)

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 confo...

The utility of the guppy (Poecilia reticulata) and medaka (Oryzias latipes) in evaluation of chemicals for carcinogenicity.

Toxicol. Sci. 92(1) , 143-56, (2006)

There has been considerable interest in the use of small fish models for detecting potential environmental carcinogens. In this study, both guppies (Poecilia reticulata) and medaka (Oryzias latipes) were exposed in the aquaria water to three known rodent carc...

Approaches to cancer assessment in EPA's Integrated Risk Information System.

Toxicol. Appl. Pharmacol. 254(2) , 170-80, (2011)

The U.S. Environmental Protection Agency's (EPA) Integrated Risk Information System (IRIS) Program develops assessments of health effects that may result from chronic exposure to chemicals in the environment. The IRIS database contains more than 540 assessmen...

Derivation of a reference dose and drinking water equivalent level for 1,2,3-trichloropropane

Food Chem. Toxicol. 48(6) , 1488-510, (2010)

In some US potable water supplies, 1,2,3-trichloropropane (TCP) has been present at ranges of non-detect to less than 100 ppb, resulting from past uses. In subchronic oral studies, TCP produced toxicity in kidneys, liver, and other tissues. TCP administered b...