Basic information
- CAS
2613-23-2- Standard SMILES
Oc1ccc(F)c(Cl)c1- InChIKey
ZQXLIXHVJVAPLW-UHFFFAOYSA-N- Molecular formula
- C6H4ClFO
- Average molar mass
- 146.54 g/mol
- Monoisotopic mass
- 145.99347065
Overview
3-Chloro-4-fluorophenol is an organofluorine compound and a halophenol.
Names & identifiers
- Preferred name
- 3-Chloro-4-fluorophenol
- IUPAC
- 3-chloro-4-fluorophenol
- English name
- 3-Chloro-4-fluorophenol
- Molecular formula
- C6H4ClFO
- Molecular weight
- 146.55
Names & synonyms
3-Chloro-4-fluorophenol2613-23-2EINECS 220-042-5DTXSID70180762RefChem:499972DTXCID10103253220-042-5Phenol, 3-chloro-4-fluoro-3-chloro-4-fluoro-phenolMFCD000022573-chloro4-fluorophenol3-chloro-4-luorophenol
Show more names
3-Chloro-4-fluorophe4-Fluoro-3-chlorophenol3-Chloro-4-fluorophenol98%3-Chloro-4-fluorophenol>3-Chloro-4-fluorophenol,99%3-Chloro-4-fluorophenol 98%1-Bromo-2,4,5-trifluorobezene3-Chloro-4-fluorophenol (ACI)
AKOS000119338CS-W007874Z104477690AM61417FT-0615395SCHEMBL232552SCHEMBL522998orb3030546
Database identifiers
- CAS
2613-23-2- PubChem CID
- 75790
- DTXSID
DTXSID70180762- ChEBI
CHEBI:194666- EC Number
- 220-042-5
- Nikkaji
- J192.119C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 38 · 38-40 °C (lit.)
- Boiling point
- 104 °C/11 · 104 °C/11 mmHg (lit.)
- Density
- 1.3675 · 1.3675 (estimate)
- Flash point
- 228 °F · 228 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.01 · 9.01±0.18(Predicted)
- form
- Crystalline Solid
- color
- Beige to brownish
- BRN
- 3236443 · 3236443
- InChI
- InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
- InChIKey
- ZQXLIXHVJVAPLW-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(F)C(Cl)=C1
- CAS DataBase Reference
- 2613 · 2613-23-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Chloro-4-fluorophenol(2613-23-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335-H302-H312-H314-H318-H401-H411
- Precautionary statements
- 261 · P261-P305+P351+P338-P273-P303+P361+P353-P310-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-37/39-36/37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, IRRITANT-HARMFUL
- HS Code
- 29081990 · 29081990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]
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, 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 CategoriesAcute Tox. 4 (14.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29081990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05,GHS09
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335-H302-H312-H314-H318-H401-H411
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338-P273-P303+P361+P353-P310-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses3-Chloro-4-fluorophenol post-translationally stabilizes survival motor neuron protein for treatment of spinal muscular atrophy.
Uses3-Chloro-4-fluorophenol has been used in the preparation of 3-chloro-4-fluoro-2′-methoxycarbonyldiphenyl ether required for the synthesis of flavone and xanthone derivatives.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: 3-Chloro-4-fluorophenol is a halophenol and an organofluorine compound.
Related reactions
52 records
Compound notes
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