1,2,3-trichlorobenzene

1,2,3-trichlorobenzene Structure
1,2,3-trichlorobenzene structure
Common Name 1,2,3-trichlorobenzene
CAS Number 87-61-6 Molecular Weight 181.44700
Density 1,69 g/cm3 Boiling Point 218-219 °C(lit.)
Molecular Formula C6H3Cl3 Melting Point 51-53 °C(lit.)
MSDS Chinese USA Flash Point 260 °F
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors....

Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

J. Chromatogr. A. 1392 , 82-90, (2015)

Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capil...

Determination of chlorobenzenes in water samples by solid-phase disk extraction and gas chromatography-electron capture detection.

J. Chromatogr. Sci. 52(5) , 375-82, (2014)

A simple, rapid, sensitive and high throughput method is described, based on solid-phase disk extraction (SPDE) and gas chromatography-electron capture detection, for the determination of chlorobenzens (CBs) in water samples. The proposed SPDE sample pretreat...

Environmental contaminants activate human and polar bear (Ursus maritimus) pregnane X receptors (PXR, NR1I2) differently.

Toxicol. Appl. Pharmacol. 284(1) , 54-64, (2015)

Many persistent organic pollutants (POPs) accumulate readily in polar bears because of their position as apex predators in Arctic food webs. The pregnane X receptor (PXR, formally NR1I2, here proposed to be named promiscuous xenobiotic receptor) is a xenobiot...

Aniline-phenol recognition: from solution through supramolecular synthons to cocrystals.

IUCrJ 1 , 228-39, (2014)

Aniline-phenol recognition is studied in the crystal engineering context in several 1:1 cocrystals that contain a closed cyclic hydrogen-bonded [⋯O-H⋯N-H⋯]2 tetramer supramolecular synthon (II). Twelve cocrystals of 3,4,5- and 2,3,4-trichlorophenol with one o...