2,3,5,6-Tetrafluorohydroquinone

HCID 69870CAS 771-63-1

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1c(F)c(F)c(O)c(F)c1F
InChIKey: ZSDAMBJDFDRLSS-UHFFFAOYSA-N
Molecular formula: C6H2F4O2
Average molar mass: 182.07 g/mol
Monoisotopic mass: 181.99909218

Names & identifiers

Preferred name: 2,3,5,6-Tetrafluorohydroquinone
IUPAC: 2,3,5,6-tetrafluorobenzene-1,4-diol
English name: Tetrafluorohydroquinone
Molecular formula: C6H2F4O2
Molecular weight: 182.07

Names & synonyms

Tetrafluorohydroquinone771-63-12,3,5,6-TetrafluorohydroquinoneEINECS 212-237-9DTXSID70227888RefChem:441792DTXCID20150379212-237-9tetrafluorobenzene-1,4-diol2,3,5,6-tetrafluorobenzene-1,4-diolHydroquinone, tetrafluoro-1,4-Benzenediol, 2,3,5,6-tetrafluoro-

Show more names

Tetrafluoro-1Tetrafluorohydroquinone,98%Tetrafluorohydroquinone 98%Tetrafluorohydroquinone 98%

MFCD00002340Tetrafluoro-1,4-hydroquinone2,3,5,6-Tetrafluoro-1,4-benzenediol1,2,4,5-Tetrafluoro-3,6-dihydroxybenzeneSCHEMBL699581,4-dihydroxytetrafluorobenzene1,4-dihydroxy-2,3,5,6-tetrafluorobenzeneTETRAFLUORO-1,4-BENZENEDIOL

Database identifiers

CAS: 771-63-1
PubChem CID: 69870
DTXSID: DTXSID70227888
UNII: X88APE9RKA
EC Number: 212-237-9
Nikkaji: J99.405G

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 134

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 172 · 172-174 °C(lit.)
Boiling point: 206 ℃ · 206℃
Density: 1.765 · 1.765
Flash point: 78 ℃ · 78℃
solubility: soluble in Methanol
form: powder to crystal
pka: 5.9 · 5.90±0.33(Predicted)
color: White to Light yellow to Light orange
InChI: 1S/C6H2F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKey: ZSDAMBJDFDRLSS-UHFFFAOYSA-N
SMILES: Oc1c(F)c(F)c(O)c(F)c1F
CAS DataBase Reference: 771 · 771-63-1(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29081990 · 29081990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29081990
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn,Xi
safety_code: 26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesTetrafluorohydroquinone is a kind of medicine, chemistry of pesticide intermediate, has in fields such as medicine, agricultural chemicals very to use widely.