2,3,5,6-Tetrachlorophenol

HCID 13636CAS 935-95-5

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Basic information

Standard SMILES: Oc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIKey: KEWNKZNZRIAIAK-UHFFFAOYSA-N
Molecular formula: C6H2Cl4O
Average molar mass: 231.9 g/mol
Monoisotopic mass: 229.885975

Names & identifiers

Preferred name: 2,3,5,6-Tetrachlorophenol
IUPAC: 2,3,5,6-tetrachlorophenol
English name: 2,3,5,6-Tetrachlorophenol
Molecular formula: C6H2Cl4O
Molecular weight: 231.89

Names & synonyms

2,3,5,6-TETRACHLOROPHENOL935-95-5Phenol, 2,3,5,6-tetrachloro-2,3,5,6-TetrachlorophenateDTXSID2026101SW5F2W8SDJ2,3,5,6-Tetrachloro phenolNSC-407823DTXCID206101CHEBI:520482,3,5,6-tetrakis(chloranyl)phenolRefChem:441770

Show more names

2,3,5,6-TCP2,3,5,6-TECP2.3.5.6-TetrFourchlorophenol2,3,5,6-tetrachloro-pheno2，3，5，6-Tetrachloropheno1phenol,2,3,5,6-tetrachloro

213-310-8CCRIS 4723HSDB 6766EINECS 213-310-8UNII-SW5F2W8SDJNSC 407823BRN 2049586AI3-22331

Database identifiers

CAS: 935-95-5
PubChem CID: 13636
DTXSID: DTXSID2026101
ChEMBL: CHEMBL1606550
ChEBI: CHEBI:52048
UNII: SW5F2W8SDJ
EC Number: 213-310-8
Nikkaji: J50.177H

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 115 · 115-116℃ (isooctane )
Boiling point: 331.59 °C · 331.59°C (rough estimate)
Density: 1.6 g/cm3 · 1.6 g/cm3 (60℃)
refractive index: 1.5133 · 1.5133 (estimate)
Flash point: 11 °C · 11 °C
storage temp.: 4 °C · APPROX 4°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 5.09 · 5.09±0.20(Predicted)
Water Solubility: 0.1 g/L · 0.1g/L(25 ºC)
BRN: 2049586 · 2049586
Henry's Law Constant: 4.3 · 4.3×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
Major Application: environmental
InChI: 1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey: KEWNKZNZRIAIAK-UHFFFAOYSA-N
SMILES: Oc1c(Cl)c(Cl)cc(Cl)c1Cl
CAS DataBase Reference: 935 · 935-95-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 F2W8SDJ · SW5F2W8SDJ
EPA Substance Registry System: 2 · 2,3,5,6-Tetrachlorophenol (935-95-5)
UNSPSC Code: 12000000 · 12000000
NACRES: 24 · NA.24
Symbol(GHS): 6 · GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H335-H410
Precautionary statements: 273 · P273-P301+P310+P330
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,F
Risk Statements: 25 · 25-37/38-41-39/23/24/25-23/24/25-11
Safety Statements: 26 · 26-39-45-36/37-16
RIDADR: 2020 · UN 2020 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 9450000 · SM9450000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT SE 3
Hazardous Substances Data: 935 · 935-95-5(Hazardous Substances Data)

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
rtecs: SM9450000
ridadr: UN 2020 6.1/PG 3
risk_code: 25-37/38-41-39/23/24/25-23/24/25-11
Signal word: Danger
Symbol(GHS): GHS06,GHS09
hazard_code: T,F
safety_code: 26-39-45-36/37-16
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H301-H335-H410
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT SE 3
Precautionary statements: P273-P301+P310+P330
Hazardous Substances Data: 935-95-5(Hazardous Substances Data)

Chemistry & industry

Applications

UsesFungicide, wood preservative.

General DescriptionLeaflets (from ligroin) or light beige powder.

Upstream & downstream products

Upstream raw materials

Phosphinic acid, diphenyl-, 2,3,5,6-tetrachlorophenyl ester (9CI)2,3,5,6-Tetrachloroaniline 2,3,4,5-Tetrachlorophenol 2,3,4,6-Tetrachlorophenol Tecnazene 2,3,5,6-Tetrachloroanisole Pentachlorophenol 2,4,5-Trichlorophenol

Downstream products

2,3,6-trichlorophenol 3,4,5-Trichlorophenol

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: The 2,3,5,6-isomer of tetrachlorophenol

Related reactions

2 records

New reaction record

HRID 1721562As reactantuspto-grants-1996_04

HRID 2379678As reactantuspto-grants-1994_11

Linked notes

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