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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 14537Generated: October 23, 2026

Tetrachlorocatechol

TETRACHLOROCATECHOL · LABOTEST-BB LT00080371 · tetrachlorpyrokatechin · tetrachloro-pyrocatecho · TETRACHLOROPYROCATECHOL · Tetrachloro-o-hydroquinone · 3,4,5,6-tetrachlorocatechol · tetrachloro-1,2-benzenediol

https://huagongshe.com/en/chemical/14537

Tetrachlorocatechol molecular structure

Identifiers & Physical Properties

CAS No.1198-55-6
Molecular formulaC6H2Cl4O2
Average molar mass247.9 g/mol
Monoisotopic mass245.88089002 g/mol
SMILESOc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIKeyRRBMVWQICIXSEO-UHFFFAOYSA-N
PubChem CID14537
ChEBICHEBI:26889
EC No.621-298-4
DTXSIDDTXSID4022151

Chemical & Physical Properties

XLogP4.3
Topological polar surface area40.5
Hydrogen bond donors2
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms12
Formal charge0
Complexity150
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP (partition coefficient)4.12
Collision Cross Section135.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4022151]
Melting point193-195 °C (lit.)
Boiling point352.31°C (rough estimate)
Density1.8232 (rough estimate)
Refractive index1.4813 (estimate)
Storage conditionsKeep in dark place,Sealed in dry,Room Temperature
SolubilityDichloromethane
pKa (acidity coefficient)5.68±0.33(Predicted)
Physical stateSolid
ColorOff-White
Henry's law constant2.9×101 mol/(m3Pa) at 25℃, Lei et al. (1999)
InChIInChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChIKeyRRBMVWQICIXSEO-UHFFFAOYSA-N
SMILESC1(O)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1O
CAS DataBase Reference1198-55-6(CAS DataBase Reference)
FDA UNII5REG09UJO0
EPA Substance Registry SystemTetrachlorocatechol (1198-55-6)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS05,GHS07,GHS09
Signal wordDanger
GHS hazard statementsH302-H318-H400
GHS precautionary statementsP273-P280-P305+P351+P338
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard symbolsXn
Risk statements (R)20/22-41-22
Safety statements (S)26-36/37/39-39
UN transport number2811
Water hazard class (WGK)3
RTECS numberUX2449000
TSCA inventory statusTSCA listed
Customs code2908.19.6000
Hazard class6.1(b)Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
Packing groupIII
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationDangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberUX2449000
UN transport number2811
Customs code2908.19.6000
Risk statements (R)20/22-41-22
Signal wordDanger
GHS pictogramGHS05,GHS07,GHS09
Hazard symbolsXn
Safety statements (S)26-36/37/39-39
Hazard class6.1(b)Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
Storage class11 - Combustible Solids
Packing groupIII
GHS hazard statementsH302-H318-H400
GHS precautionary statementsP273-P280-P305+P351+P338

Applications & Uses

Uses

Tetrachlorocatechol 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 Description

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