CAS 2713-33-9 3,4-Difluorophenol (HCID 75927)

Names & identifiers

Preferred name: 3,4-Difluorophenol
IUPAC: 3,4-difluorophenol
English name: 3,4-Difluorophenol
Molecular formula: C6H4F2O
Molecular weight: 130.09

Names & synonyms

3,4-Difluorophenol2713-33-9Phenol, 3,4-difluoro-BNPWVUJOPCGHIK-UHFFFAOYSA-DTXSID50181595RefChem:91069DTXCID90104086424-300-1608-046-9BNPWVUJOPCGHIK-UHFFFAOYSA-NInChI=1/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H3,4-difluoro phenol

Show more names

3,4-DifluorophenoLUBE-0013,4-2-fluorophenol3,4-Difluorophenol>3,4-Difluorophenol99%3,4-Difluorophenol,98%3,4-Difluorophenol, 97+%3,4-Difluorophenol (ACI)

MFCD000103153,4-difluoro-phenolSCHEMBL156773,4-Difluorophenol, 99%SCHEMBL330836orb3029986SCHEMBL14829958SCHEMBL29617579

Database identifiers

CAS: 2713-33-9
PubChem CID: 75927
DTXSID: DTXSID50181595
EC Number: 424-300-1、608-046-9
Nikkaji: J658.522A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 34 · 34-38 °C (lit.)
Boiling point: 85 °C/20 · 85 °C/20 mmHg (lit.)
Density: 1.2483 · 1.2483 (estimate)
Flash point: 136 °F · 136 °F
storage temp.: Sealed in dry,Room Temperature
form: low melting fused solid
pka: 8.98 · 8.98±0.18(Predicted)
color: off white
BRN: 2081085 · 2081085
InChI: InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey: BNPWVUJOPCGHIK-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(F)=C1
CAS DataBase Reference: 2713 · 2713-33-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H302+H312-H314
Precautionary statements: 210 · P210-P260-P280-P301+P312-P303+P361+P353-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,F,C,Xn
Risk Statements: 36 · 36/37/38-34-20/21/22-11-21/22
Safety Statements: 26 · 26-36-45-36/37/39-16
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 4.1 · 4.1
PackingGroup: II
HS Code: 29081000 · 29081000
Storage Class: 4.1 B · 4.1B - Flammable solid hazardous materials
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Sol. 1Skin Corr. 1B
REACH Registrations: Inactive
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3944

Hazard Classes and Categories · 2 items

Flam. Sol. 1 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29081000
risk_code: 36/37/38-34-20/21/22-11-21/22
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xi,F,C,Xn
hazard_note: Irritant
safety_code: 26-36-45-36/37/39-16
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: II
Hazard statements: H228-H302+H312-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Sol. 1Skin Corr. 1B
Precautionary statements: P210-P260-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

UsesIntermediates of Liquid Crystals

General DescriptionTransformation of 3,4-difluorophenol by Penicillium frequentans strain Bi 7/2, using phenol as a sole source of carbon and energy, has been reported.