CAS 2713-34-0 3,5-Difluorophenol (HCID 75928)

Names & identifiers

Preferred name: 3,5-Difluorophenol
IUPAC: 3,5-difluorophenol
English name: 3,5-Difluorophenol
Molecular formula: C6H4F2O
Molecular weight: 130.09

Names & synonyms

3,5-Difluorophenol2713-34-0Phenol, 3,5-difluoro-Phenol,3,5-difluoro-HJSSBIMVTMYKPD-UHFFFAOYSA-DTXSID10181596RefChem:91520DTXCID50104087608-047-4HJSSBIMVTMYKPD-UHFFFAOYSA-NInChI=1/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9HMFCD00002255

Show more names

3,5-DiflourophenolTegoprazan Impurity 73,5-Difluorophenol>3,5-Difluorophenol99%3,5-Difluorophenol 99%3,5-Difluorophenol,98+%3,5-Difluorophenol (ACI)3, 5 - two fluorine phenol

C6H4F2O3,5-difluoro-phenol3,5-difluoro phenol3,5-fluorophenol3,5-difluorphenol3,5difluorophenolphenol derivative, 63,5-Bis(fluoranyl)phenol

Database identifiers

CAS: 2713-34-0
PubChem CID: 75928
DTXSID: DTXSID10181596
ChEMBL: CHEMBL259068
UNII: JN34ZXS9X7
EC Number: 608-047-4
Nikkaji: J432.241J

Properties

Computed structural properties

XLogP: 1.8
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: 87.1

Physicochemical properties

Melting point: 54 · 54-57 °C (lit.)
Boiling point: 65 · 65-68°C 1mm
Density: 1.2483 · 1.2483 (estimate)
Flash point: 159 °F · 159 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: 50 · ethanol: soluble50, clear, colorless to faint yellow or tan (mg/mL)
pka: 7.97 · 7.97±0.10(Predicted)
form: Crystals
color: White to beige
BRN: 2078616 · 2078616
InChI: InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N
SMILES: C1(O)=CC(F)=CC(F)=C1
CAS DataBase Reference: 2713 · 2713-34-0(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,5-Difluorophenol(2713-34-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi,C,F
Risk Statements: 20 · 20/21/22-36/37/38-34-11
Safety Statements: 26 · 26-36-45-36/37/39-16
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: 6.1 · 6.1
PackingGroup: III
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 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 1 Kg · 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29081000
risk_code: 20/21/22-36/37/38-34-11
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi,C,F
hazard_note: Harmful
safety_code: 26-36-45-36/37/39-16
hazard_class: 6.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3,5-Difluorophenol is an important medicine, pesticide, and liquid crystal material intermediate, mainly used in the synthesis of liquid crystal materials and antifungal agents, and also used in the synthesis of dyes, plastics and rubber additives.

Upstream & downstream products

Upstream raw materials

Downstream products

2,6-DIFLUORO-4-HYDROXYBENZALDEHYDE 2,6-Difluoro-4-hydroxybenzonitrile 3,5-Difluorobenzoic acid tert-butyl(3,5-difluorophenoxy)dimethylsilane 2-(3,5-Difluorophenoxy)acetic acid 4-tert-butyl-3,5-difluorophenol 4-Butoxy-2,6-difluorobenzoicacid

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

120 records

New reaction record

HRID 56244As reactantuspto-grants-2016_09

HRID 71188As reactantuspto-grants-2014_09

HRID 109835As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119938As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166199As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 169549As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 171556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 174263As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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Basic information