CAS 2138-22-9|4-Chlorocatechol

Introduction：Basic information about CAS 2138-22-9|4-Chlorocatechol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 4-Chlorocatechol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles29
8. Synonyms

Common Name	4-Chlorocatechol
CAS Number	2138-22-9	Molecular Weight	144.556
Density	1.5±0.1 g/cm3	Boiling Point	267.1±20.0 °C at 760 mmHg
Molecular Formula	C₆H₅ClO₂	Melting Point	90-94 °C(lit.)
MSDS	ChineseUSA	Flash Point	115.3±21.8 °C
Symbol	GHS05	Signal Word	Danger

Names

Name	4-chlorocatechol
Synonym	More Synonyms

4-Chlorocatechol BiologicalActivity

Description	4-Chlorocatechol is a major degradation product of 4-chloro-2-aminophenol (4C2AP). 4-Chlorocatechol is also a substrate for catechol 1,2-dioxygenases and chlorocatechol dioxygenase[1][2].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. Pankaj Kumar Arora, et al. Novel degradation pathway of 4-chloro-2-aminophenol via 4-chlorocatechol in Burkholderia sp. RKJ 800. Environ Sci Pollut Res Int. 2014 Feb;21(3):2298-2304. [2]. Raffaella Caglio, et al. Fine-tuning of catalytic properties of catechol 1,2-dioxygenase by active site tailoring. Chembiochem. 2009 Apr 17;10(6):1015-24.

Description

4-Chlorocatechol is a major degradation product of 4-chloro-2-aminophenol (4C2AP). 4-Chlorocatechol is also a substrate for catechol 1,2-dioxygenases and chlorocatechol dioxygenase[1][2].

Related Catalog

Research Areas >>OthersSignaling Pathways >>Others >>Others

References

[1]. Pankaj Kumar Arora, et al. Novel degradation pathway of 4-chloro-2-aminophenol via 4-chlorocatechol in Burkholderia sp. RKJ 800. Environ Sci Pollut Res Int. 2014 Feb;21(3):2298-2304.

[2]. Raffaella Caglio, et al. Fine-tuning of catalytic properties of catechol 1,2-dioxygenase by active site tailoring. Chembiochem. 2009 Apr 17;10(6):1015-24.

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	267.1±20.0 °C at 760 mmHg
Melting Point	90-94 °C(lit.)
Molecular Formula	C₆H₅ClO₂
Molecular Weight	144.556
Flash Point	115.3±21.8 °C
Exact Mass	143.997803
PSA	40.46000
LogP	2.15
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.629
InChIKey	WWOBYPKUYODHDG-UHFFFAOYSA-N
SMILES	Oc1ccc(Cl)cc1O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX1490000

CHEMICAL NAME :: Pyrocatechol, 4-chloro-

CAS REGISTRY NUMBER :: 2138-22-9

BEILSTEIN REFERENCE NO. :: 1907691

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H5-Cl-O2

MOLECULAR WEIGHT :: 144.56

WISWESSER LINE NOTATION :: QR BQ DG

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 :: 75 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07880

Safety Information

Symbol	GHS05
Signal Word	Danger
Hazard Statements	H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C: Corrosive;
Risk Phrases	R34
Safety Phrases	S26-S36/37/39-S45
RIDADR	UN 1759 8/PG 2
WGK Germany	3
RTECS	UX1490000
Packaging Group	II
HS Code	2908199090

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%

Articles29

Identification of Triclosan-O-Sulfate and other transformation products of Triclosan formed by activated sludge.

Sci. Total Environ. 505 , 39-46, (2014)

Aerobic degradation experiments of Triclosan were performed in activated sludge to identify possible transformation products for this compound. During 7 days, the formation of biotransformation produc...

Characterization of catechol 2,3-dioxygenase from Planococcus sp. strain S5 induced by high phenol concentration.

Acta Biochim. Pol. 59(3) , 345-51, (2012)

This study aimed at characterization of a new catechol 2,3-dioxygenase isolated from a Gram-positive bacterium able to utilize phenol as the sole carbon and energy source. Planococcus sp. strain S5 gr...

Multistep conversion of para-substituted phenols by phenol hydroxylase and 2,3-dihydroxybiphenyl 1,2-dioxygenase.

Appl. Biochem. Biotechnol. 169(7) , 2064-75, (2013)

A multistep conversion system of para-substituted phenols by recombinant phenol hydroxylase (PH(IND)) and 2,3-dihydroxybiphenyl 1,2-dioxygenase (BphC(LA-4)) was constructed in this study. Docking stud...

Synonyms

4-Chloro-1,2-benzenediol

1,2-Benzenediol, 4-chloro-

4-chloropyrocatechol

1,2-dihydroxy 4-chlorobenzene

4-Chlorobenzene-1,2-diol

Pyrocatechol,4-chloro

EINECS 218-381-9

MFCD00059614

4-Chloro-1,2-dihydroxybenzene

1,2-Benzenediol,4-chloro

p-Cl-catechol

3,4-dihydroxychlorobenzene

4-Chlorbenzol-1,2-diol

4-Chlorocatechol

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