1,3-Dichlorobenzene

1,3-Dichlorobenzene Structure
1,3-Dichlorobenzene structure
Common Name 1,3-Dichlorobenzene
CAS Number 541-73-1 Molecular Weight 147.002
Density 1.3±0.1 g/cm3 Boiling Point 180.4±0.0 °C at 760 mmHg
Molecular Formula C6H4Cl2 Melting Point -24 °C
MSDS Chinese USA Flash Point 63.3±0.0 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

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....

[Cloning and quantitative expression of chlorocatechol 1,2-dioxygenase gene].

Huan Jing Ke Xue 30(2) , 606-9, (2009)

The chlorocatechol 1,2-dioxygenase gene, designated as tcbC (J5-2) (GenBank Accession No. EF111021), was cloned from total DNA of Pseudomonas aeruginosa J5-2 which can degrade 1,2,4-trichlorobenzene. The deduced amino acid sequence analysis of tcbC (JS-2) sho...

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 ...

[Estimation of bioconcentration factor of benzene derivatives].

Ying Yong Sheng Tai Xue Bao 17(12) , 2399-402, (2006)

To estimate the bioconcentration factor (BCF) of benzene derivatives in fish by gas chromatography retention time (t(R)), this paper measured the BCF of chlorobenzene, o-chloro-toluene, p-dichlorobenzene, m-dichlorobenzene, 1,2-dichlorobenzene, nitrobenzene, ...

Regulation of reductive dehalogenase gene transcription in Dehalococcoides mccartyi.

Philos. Trans. R. Soc. Lond., B, Biol. Sci. 368(1616) , 20120317, (2013)

The remarkable capacity of the genus Dehalococcoides to dechlorinate a multitude of different chlorinated organic compounds reflects the number and diversity of genes in the genomes of Dehalococcoides species encoding reductive dehalogenase homologues (rdh). ...

Microbial hexachlorobenzene dechlorination under three reducing conditions.

Chemosphere 36(13) , 2721-30, (1998)

The potential dechlorination of hexachlorobenzene (HCB) in medium by 1,2,3-trichlorobenzene (TCB)-adapted mixed culture under three reducing conditions was investigated. It was found that strongest to weakest HCB dechlorination occurred in the order of methan...

Mass analyzed threshold ionization spectroscopy of o-, m-, and p-dichlorobenzenes. Influence of the chlorine position on vibrational spectra and ionization energy.

J. Phys. Chem. A 112(3) , 425-34, (2008)

For the first time, vibrational spectra of the 35Cl2 and 35Cl37Cl isotopomers of o-, m-, and p-dichlorobenzene cations in the electronic ground state have been measured via S1 intermediate states by mass analyzed threshold ionization (MATI) spectroscopy. Addi...

Acute hepatic and renal toxicity of dichlorobenzene isomers in Fischer 344 rats.

J. Appl. Toxicol. 13(1) , 1-7, (1993)

Studies were conducted to examine acute hepatic and renal toxicity of dichlorobenzene (DCB) structural isomers. Male Fischer 344 (F344) rats were injected with 2, 3 or 4 mmol kg-1 of 1,2-DCB, 1,3-DCB or 1,4-DCB (o-, m-, p-). Pair-fed control (PFC) animals wer...

Isomer-specific acute toxicity and cell proliferation in livers of B6C3F1 mice exposed to dichlorobenzene.

Toxicol. Appl. Pharmacol. 137(2) , 268-74, (1996)

The acute hepatotoxicity of isomers of dichlorobenzene (o-, m-, and p-DCB) was compared in livers of male B6C3F1 mice at different time points after a single intragastric administration. The highest doses of o-, m-, and p-DCB administered, 300, 300, and 1800 ...

FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 79(5) , 962-9, (2011)

The FT-IR and FT-Raman vibrational spectra of 1,3-dichlorobenzene (1,3-DCB) have been recorded using Bruker IFS 66 V Spectrometer in the range 4000-100 cm(-1). A detailed vibrational spectral analysis has been carried out and assignments of the observed funda...