4,5-Dichlorocatechol

Modify Date: 2024-01-13 12:08:05

4,5-Dichlorocatechol Structure
4,5-Dichlorocatechol structure
Common Name 4,5-Dichlorocatechol
CAS Number 3428-24-8 Molecular Weight 179.001
Density 1.6±0.1 g/cm3 Boiling Point 302.2±37.0 °C at 760 mmHg
Molecular Formula C6H4Cl2O2 Melting Point 110-115ºC(lit.)
MSDS Chinese USA Flash Point 136.6±26.5 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Use of 4,5-Dichlorocatechol


4,5-Dichlorocatechol is a substrate of the broad-spectrum chlorocatechol 1,2-dioxygenase of pseudomonas chlororaphis RW71. The Ki values for 4,5-dichlorocatechol is 30 nM for the dioxygenase of the Chlorobenzoate-degrading strain Pseudomonas putida AC27 and 4 nM for the dioxygenase of Acidovorax sp. strain PS14[1].

 Names

Name 4,5-dichlorobenzene-1,2-diol
Synonym More Synonyms

 4,5-Dichlorocatechol Biological Activity

Description 4,5-Dichlorocatechol is a substrate of the broad-spectrum chlorocatechol 1,2-dioxygenase of pseudomonas chlororaphis RW71. The Ki values for 4,5-dichlorocatechol is 30 nM for the dioxygenase of the Chlorobenzoate-degrading strain Pseudomonas putida AC27 and 4 nM for the dioxygenase of Acidovorax sp. strain PS14[1].
Related Catalog
References

[1]. T Potrawfke , et al. Chlorocatechols Substituted at Positions 4 and 5 Are Substrates of the Broad-Spectrum Chlorocatechol 1,2-dioxygenase of Pseudomonas Chlororaphis RW71. J Bacteriol. 2001 Feb;183(3):997-1011.

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 302.2±37.0 °C at 760 mmHg
Melting Point 110-115ºC(lit.)
Molecular Formula C6H4Cl2O2
Molecular Weight 179.001
Flash Point 136.6±26.5 °C
Exact Mass 177.958832
PSA 40.46000
LogP 3.29
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.642
Storage condition -20°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX1510000
CHEMICAL NAME :
Pyrocatechol, 4,5-dichloro-
CAS REGISTRY NUMBER :
3428-24-8
BEILSTEIN REFERENCE NO. :
2086136
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H4-Cl2-O2
MOLECULAR WEIGHT :
179.00
WISWESSER LINE NOTATION :
QR BQ DG EG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
75 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 119,273,1983

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H315-H319-H335-H400
Precautionary Statements P261-P273-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases S26;S36
RIDADR UN 3077 9 / PGIII
RTECS UX1510000
HS Code 2908199090

 Synthetic Route

 Customs

HS Code 2908199090
Summary HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

 Articles2

More Articles
Oxidation of catechols during positive ion electrospray mass spectrometric analysis: evidence for in-source oxidative dimerization.

Rapid Commun. Mass Spectrom. 28(20) , 2181-90, (2014)

Catechols are an important class of analytes occurring in many natural and synthetic products. Electrospray ionization in negative mode is the preferred way of ion generation for these compounds; howe...

Ormosil gels doped with engineered catechol 1,2 dioxygenases for chlorocatechol bioremediation.

Biotechnol. Appl. Biochem. 61(3) , 297-303, (2014)

Enzymes entrapped in wet, nanoporous silica gel have great potential as bioreactors for bioremediation because of their improved thermal, chemical, and mechanical stability with respect to enzymes in ...

 Synonyms

Pyrocatechol,4,5-dichloro
4,5-DICHLOROCATECHOL
4,5-dichloroguaiacol
1,2-Benzenediol,4,5-dichloro
1,2-Benzenediol, 4,5-dichloro-
4,5-Dichloropyrocatechol
4,5-Dichloro-1,2-benzenediol
EINECS 222-331-1
MFCD00463757
4,5-dichlorobenzene-1,2-diol