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
Show more names
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
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Physical Description
2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.
Liquid or solid; mp = 14-16 deg C; [CAMEO] Colorless liquid; [MSDSonline]
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
- solubility
- 37.7 g/l · 37.7g/l
- form
- Liquid
- pka
- 8.73 · 8.73(at 25℃)
- Specific Gravity
- 1.256 · 1.256
- color
- Clear colorless to light yellow-brownish
- Water Solubility
- 80.72 g/L · 80.72g/L(25 ºC)
- BRN
- 1905112 · 1905112
- Henry's Law Constant
- 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Abraham et al. (1994)
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChIKey
- HFHFGHLXUCOHLN-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1F
- CAS DataBase Reference
- 367 · 367-12-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 OW1NLY9R · I9OW1NLY9R
- NIST Chemistry Reference
- 2 · Phenol, 2-fluoro-(367-12-4)
- EPA Substance Registry System
- o-Fluorophenol (367-12-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,F,C,Xi,T
- Risk Statements
- 20 · 20/21/22-36/37/38-10-63-43-23/24/25-45-40
- Safety Statements
- 28 · 28-36/37-36/37/39-26-16-24/25-23-53-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 4530000 · SL4530000
- Hazard Note
- Flammable/Corrosive
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29081000 · 29081000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- 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
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
Chemical: Phenol, 2-fluoro-
2-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
2-FLUOROPHENOL reacts as a weak organic acid. May be incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction with bases. Such heating may initiate polymerization of the organic compound. Sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Nitrated very rapidly, even by dilute nitric acid.
Safety & protection
Fire Fighting
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
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
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.
Toxicology
EPA Provisional Peer-Reviewed Toxicity Values
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
- risk_code
- 20/21/22-36/37/38-10-63-43-23/24/25-45-40
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F,C,Xi,T
- hazard_note
- Flammable/Corrosive
- safety_code
- 28-36/37-36/37/39-26-16-24/25-23-53-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- Precautionary statements
- P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
Loading…