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Tetrachlorocatechol

Tetrachlorocatechol structure

CAS No:
1198-55-6
Formula:
C6H2Cl4O2
Chemical Name:
Tetrachlorocatechol
Synonyms:
1,2-Benzenediol,3,4,5,6-tetrachloro-;Pyrocatechol,tetrachloro-;3,4,5,6-Tetrachloro-1,2-benzenediol;Tetrachlorocatechol;Tetrachloropyrocatechol;Tetrachloro-1,2-benzenediol;3,4,5,6-Tetrachlorocatechol;Tetrachloro-1,2-hydroquinone;3,4,5,6-Tetrachloro-1,2-dihydroxybenzene;3,4,5,6-Tetrachlorobenzenediol;Tetrachloro-o-hydroquinone;3,4,5,6-Tetrachloropyrocatechol;NSC 29027;3,4,5,6-Tetrachloro-2-hydroxyphenol
Categories:
Organic Chemistry > Coordination Complexes

Description

ChEBI: A chlorocatechol that is catechol in which all of the hydrogens attached to the benzene ring are replaced by chlorines.

Tetrachlorocatechol is a chlorocatechol that is catechol in which all of the hydrogens attached to the benzene ring are replaced by chlorines. It is a chlorocatechol and a tetrachlorobenzene. It derives from a 1,2,3,4-tetrachlorobenzene.

Tetrachlorocatechol Basic Attributes

Molecular Weight：

247.88

Exact Mass：

247.89

UNII：

5REG09UJO0

NSC Number：

29027

DSSTox ID：

DTXSID4022151

HScode：

2908199090

Characteristics

PSA：

40.5

XLogP3：

4.3

Density：

1.8232 (rough estimate)

Melting Point：

194 °C

Boiling Point：

352.31°C (rough estimate)

Flash Point：

140.7±26.5 °C

Refractive Index：

1.4813 (estimate)

Water Solubility：

1.09e-05 M

Vapor Pressure：

0.000358mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

R20/22

safety instructions：

26-36/37/39-39

RTECS Number：

UX2449000

Marks：

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

H302-H318-H400

RIDADR：

UN 2811

GHS Classification：

|Danger|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4,5,6-tetrachlorocatechol

Tetrachlorocatechol Use and Manufacturing

Manufacturing Info：

1,2-Benzenediol, 3,4,5,6-tetrachloro-: ACTIVE

Computed Properties

Molecular Weight:247.9
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:247.877940
Monoisotopic Mass:245.880890
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

87-86-5

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