2-Fluorophenol

HCID 9707

Basic information

CAS
367-12-4
Standard SMILES
Oc1ccccc1F
InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N
Molecular formula
C6H5FO
Average molar mass
112.1 g/mol
Monoisotopic mass
112.032443

Overview

2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.

Names & identifiers

Preferred name
2-Fluorophenol
IUPAC
2-fluorophenol
English name
2-Fluorophenol
Molecular formula
C6H5FO
Molecular weight
112.1

Names & synonyms

2-FLUOROPHENOL367-12-4o-FluorophenolPhenol, 2-fluoro-1-Fluoro-2-hydroxybenzenePhenol, o-fluoro-DTXSID0047745I9OW1NLY9RNSC-10294DTXCID0027729RefChem:472648206-681-2
Show more names
1-Bromo-3-fluorobezeneuorophenoL2-Florophenol2-Flurophenolo-fluoro-pheno2-fluoro-pheno2-Fluorophenole2-Fluorophenol f
Fluorophenol2-fluoro-phenolMFCD000021552-fluorohydroxybenzenePhenol, fluoro-CCRIS 1226EINECS 206-681-2UNII-I9OW1NLY9R

Database identifiers

CAS
367-12-4
PubChem CID
9707
DTXSID
DTXSID0047745
ChEMBL
CHEMBL224144
UNII
I9OW1NLY9R
EC Number
206-681-2
Nikkaji
J110.443H

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.71
Boiling Point304 to 306 °F at 760 mmHg (NTP, 1992)
Melting Point61 °F (NTP, 1992)
Vapor Pressure1.19 [mmHg]

Physicochemical properties

Melting point
16.1 °C · 16.1 °C (lit.)
Boiling point
171 · 171-172 °C/741 mmHg (lit.)
Density
1.256 g/mL · 1.256 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.511(lit.)
Flash point
116 °F · 116 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.

Danger

H226 (96.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 2-fluoro-

2-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Toxic and irritant. (NTP, 1992)
Hazards SummaryAn irritant; [CAMEO] A skin and eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]
Reactive GroupPhenols and Cresols

Safety & protection

Fire Fighting · 1 item

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxicology

EPA Provisional Peer-Reviewed Toxicity Values · 3 items

2-Fluorophenol

PDF Document

2004

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
SL4530000
ridadr
UN 1993 3/PG 3
hs_code
29081000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2-fluoro-: ACTIVE
Applications · 2 items

Uses2-Fluorophenol is a competitive inhibitor in the oxidation of 3,4-dihydroxyphenylalanine (L-DOPA), a catecholamine precursor that is used as a therapeutic agent for patients with ParkinsonтАЩs disease. 2-Fluorophenol is also used as a sole carbon energy source for bacteria.

General DescriptionLiquid or crystalline solid melting at 14-16°C. Corrosive. Density 1.246 g / cm3.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [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]

Related reactions

266 records

Compound notes

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