CAS 2713-31-7 2,5-Difluorophenol (HCID 94952)

Names & identifiers

Preferred name: 2,5-Difluorophenol
IUPAC: 2,5-difluorophenol
English name: 2,5-Difluorophenol
Molecular formula: C6H4F2O
Molecular weight: 130.09

Names & synonyms

2,5-Difluorophenol2713-31-7Phenol, 2,5-difluoro-Phenol,2,5-difluoro-INXKVYFOWNAVMU-UHFFFAOYSA-DTXSID90181594NSC 10288RefChem:82850DTXCID30104085608-045-3InChI=1/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9HINXKVYFOWNAVMU-UHFFFAOYSA-N

Show more names

5-Difluorophenol2,5-Difluorphenol2,5-Difluorophenol>2,5-Difluorophenol,96%2,5-Difluorophenol 97%2,5-Difluorophenol,97%2,5-Difluorophenol,98%2,5-Difluorophenol, 96% 5GR

MFCD0004250153EYY8S7LANSC-102882,5-difluoro-phenolNSC102882,5-Diflurophenol2,5-difluoro phenolphenol derivative, 5

Database identifiers

CAS: 2713-31-7
PubChem CID: 94952
DTXSID: DTXSID90181594
ChEMBL: CHEMBL261219
UNII: 53EYY8S7LA
EC Number: 608-045-3
Nikkaji: J256.505F

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: 40 · 40-42 °C (lit.)
Boiling point: 145 °C · 145 °C
Density: 1.2483 · 1.2483 (estimate)
Flash point: 128 °F · 128 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.71 · 7.71±0.10(Predicted)
form: powder to lump
color: White to Almost white
Water Solubility: slightly soluble
BRN: 2081076 · 2081076
InChI: InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey: INXKVYFOWNAVMU-UHFFFAOYSA-N
SMILES: C1(O)=CC(F)=CC=C1F
CAS DataBase Reference: 2713 · 2713-31-7(CAS DataBase Reference)
FDA UNII: 53 EYY8S7LA · 53EYY8S7LA
NIST Chemistry Reference: 2 · 2,5-Difluorophenol(2713-31-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H302+H312+H332-H315-H319-H335
Precautionary statements: 210 · P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: Xn,Xi,C,F
Risk Statements: 10 · 10-20/21/22-36/37/38-34-11
Safety Statements: 16 · 16-26-36/37-45-36/37/39-36
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 4.1 · 4.1
PackingGroup: II
HS Code: 29329970 · 29329970
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. 2Flam. Sol. 1Skin 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

Danger

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

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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 CategoriesFlam. Sol. 1 (100%)

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29329970
risk_code: 10-20/21/22-36/37/38-34-11
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xn,Xi,C,F
hazard_note: Irritant
safety_code: 16-26-36/37-45-36/37/39-36
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H228-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. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses2,5-Difluorophenol has been used in the synthesis of di- or trifluorinated hydroxybenzoic acids.

General DescriptionConversion of 2,5-difluorophenol by whole cells of Rhodococcus opacus 1G has been investigated by 9F NMR analysis.

Upstream & downstream products

Upstream raw materials

Downstream products

2,5-Difluoro-6-nitrophenol 1,2,4-Trifluorobenzene 4-BROMO-2,5-DIFLUOROPHENOL 2,4-Difluorophenol 4-Fluorophenol Phenol, 2-amino-3,6-difluoro- (9CI)Benzenemethanol, 2,5-difluoro-α-[(methylamino)methyl]-3,4-bis(phenylmethoxy)-2,5-Difluoro-1-(methoxymethoxy)Benzene

Suppliers100 total

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

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

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

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

92 records

New reaction record

HRID 13374As reactantuspto-grants-2010_06

HRID 19078As reactantuspto-grants-2010_06

HRID 81504As reactantuspto-grants-2014_09

HRID 96991As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120783As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122483As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 142841As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152594As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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Basic information