4-Fluoro-1,2-benzenediol
Basic information
- CAS
367-32-8- Standard SMILES
Oc1ccc(F)cc1O- InChIKey
NFWGQJUHSAGJBE-UHFFFAOYSA-N- Molecular formula
- C6H5FO2
- Average molar mass
- 128.1 g/mol
- Monoisotopic mass
- 128.02735756
Overview
4-Fluorocatechol is a member of catechols.
Names & identifiers
- Preferred name
- 4-Fluoro-1,2-benzenediol
- IUPAC
- 4-fluorobenzene-1,2-diol
- English name
- 4-Fluorocatechol
- Molecular formula
- C6H5FO2
- Molecular weight
- 128.1
Names & synonyms
4-Fluorocatechol367-32-8DTXSID901901464-FLUORO-1,2-BENZENEDIOLRefChem:523419DTXCID00112637677-404-44-fluorobenzene-1,2-diol4-Fluoro-1,2-dihydroxybenzene4-FluoropyrocatecholMFCD013175391,2-Benzenediol, 4-fluoro-
Show more names
4-Fluorocatechol97%4-Fluorocatechol>4-Fluorocatechol 97%4-Fluoro-2-hydroxy-phenol4-Fluorobenzene-1,2-diol97%
4whqCHEBI:80515AKOS006230203SY024937EN300-1600103,4-Dihydroxyfluorobenzene3N81,2-DIHYDROXY-4-FLUOROBENZENE
Database identifiers
- CAS
367-32-8- PubChem CID
- 160458
- DTXSID
DTXSID90190146- ChEBI
CHEBI:80515- EC Number
- 677-404-4
- Nikkaji
- J634.609J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 90 · 90-91
- Boiling point
- 258 · 258.0±20.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.8 · 8.80±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
- InChIKey
- NFWGQJUHSAGJBE-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(F)C=C1O
- CAS DataBase Reference
- 367 · 367-32-8(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 2923
- hs_code
- 2909309090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 8
- packing_group
- Ⅲ
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Applications
Uses4-Fluorocatechol is mainly used in the production of pesticides and pharmaceutical intermediates. For example, the latest insecticides abroad are made from it through processes such as ketalization.
Additional notes
DefinitionChEBI: 4-Fluorocatechol is a member of catechols.
Related reactions
7 records
Compound notes
Loading…