3-Fluorophenol
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Basic information
- CAS
372-20-3- Standard SMILES
Oc1cccc(F)c1- InChIKey
SJTBRFHBXDZMPS-UHFFFAOYSA-N- Molecular formula
- C6H5FO
- Average molar mass
- 112.1 g/mol
- Monoisotopic mass
- 112.032443
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Fluorophenol
- IUPAC
- 3-fluorophenol
- English name
- 3-Fluorophenol
- Molecular formula
- C6H5FO
- Molecular weight
- 112.1
Names & synonyms
3-FLUOROPHENOL372-20-3m-FluorophenolPhenol, 3-fluoro-Phenol, m-fluoro-T7OMA38487NSC-87078DTXSID70190684RefChem:501989DTXCID10113175206-748-6MFCD00002254
Show more names
m-Fluorohenol3-Fluorophenole3-Fluoro Phennol3-Fluorophenol>
meta-fluorophenol3-FLUORO-PHENOLRegorafenib Impurity 22UNII-T7OMA38487m-fluoro-phenol3-Fluorphenol3- fluorophenol3-Fluoro phenol
Database identifiers
- CAS
372-20-3- PubChem CID
- 9743
- DTXSID
DTXSID70190684- ChEMBL
CHEMBL57342- UNII
- T7OMA38487
- EC Number
- 206-748-6
- Nikkaji
- J110.444F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- 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
Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.82
Vapor Pressure1.19 [mmHg]
Physical DescriptionColorless liquid with an odor like phenol; mp = 12-14 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 8 · 8-12 °C (lit.)
- Boiling point
- 178 °C · 178 °C (lit.)
- Density
- 1.238 g/mL · 1.238 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.514(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See 2-Fluorophenol and Phenol.
Hazard Classes and CategoriesAcute Tox. 3 (79.6%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29081000
- risk_code
- 20/21/22-36/37/38-41-37/38-25
- Signal word
- Warning
Chemistry & industry
Applications
Uses3-Fluorophenol is a reactant used in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
348 records
Compound notes
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