Tetrachlorocatechol

HCID 14537CAS 1198-55-6

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Basic information

Standard SMILES: Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey: RRBMVWQICIXSEO-UHFFFAOYSA-N
Molecular formula: C6H2Cl4O2
Average molar mass: 247.892 g/mol
Monoisotopic mass: 245.88089002

Names & identifiers

Preferred name: Tetrachlorocatechol
IUPAC: 3,4,5,6-Tetrachlorobenzene-1,2-diol
English name: TETRACHLOROCATECHOL
Molecular formula: C6H2Cl4O2
Molecular weight: 247.89

Names & synonyms

TETRACHLOROCATECHOLLABOTEST-BB LT00080371tetrachlorpyrokatechintetrachloro-pyrocatechoTETRACHLOROPYROCATECHOLTetrachloro-o-hydroquinone3,4,5,6-tetrachlorocatecholtetrachloro-1,2-benzenediol3,4,5,6-Tetrachloropyrocatechol3,4,5,6-tetrachloro-2-benzenediol

Database identifiers

CAS: 1198-55-6
PubChem CID: 14537
DTXSID: DTXSID4022151
ChEBI: CHEBI:26889
UNII: 5REG09UJO0
EC Number: 621-298-4
Nikkaji: J13.140G

Properties

Physicochemical properties

Melting point: 193 · 193-195 °C (lit.)
Boiling point: 352.31 °C · 352.31°C (rough estimate)
Density: 1.8232 · 1.8232 (rough estimate)
refractive index: 1.4813 · 1.4813 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Dichloromethane
pka: 5.68 · 5.68±0.33(Predicted)
form: Solid
color: Off-White
Henry's Law Constant: 2.9 · 2.9×101 mol/(m3Pa) at 25℃, Lei et al. (1999)
InChI: InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChIKey: RRBMVWQICIXSEO-UHFFFAOYSA-N
SMILES: C1(O)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1O
CAS DataBase Reference: 1198 · 1198-55-6(CAS DataBase Reference)
FDA UNII: 5 REG09UJO0 · 5REG09UJO0
EPA Substance Registry System: Tetrachlorocatechol (1198-55-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H318-H400
Precautionary statements: 273 · P273-P280-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/22-41-22
Safety Statements: 26 · 26-36/37/39-39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 2449000 · UX2449000
TSCA: TSCA listed
HS Code: 2908.19 · 2908.19.6000
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: UX2449000
ridadr: 2811
hs_code: 2908.19.6000
risk_code: 20/22-41-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xn
safety_code: 26-36/37/39-39
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H302-H318-H400
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
Precautionary statements: P273-P280-P305+P351+P338

Chemistry & industry

Applications

UsesTetrachlorocatechol is an intermediate in the synthesis of Heptachlorodibenzo-p-dioxin which is a toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.

General DescriptionTetrachlorocatechol is a metabolite of pentachlorophenol. Acute toxicity of tetrachlorocatechol has been investigated in male and female mice.

Upstream & downstream products

Upstream raw materials

Downstream products

Tetrachloro-o-benzoquinone Formic acid

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Additional notes

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

Related reactions

2 records

New reaction record

HRID 1871729As reactantuspto-grants-2000_08

HRID 2048960As reactantuspto-grants-1980_04

Linked notes

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