Basic information
- CAS
392-71-2- Standard SMILES
Oc1c(Cl)cc(F)cc1Cl- InChIKey
BOJVIFKSTRCIRJ-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2FO
- Average molar mass
- 180.99 g/mol
- Monoisotopic mass
- 179.9544983
Names & identifiers
- Preferred name
- Phenol, 2,6-dichloro-4-fluoro-
- IUPAC
- 2,6-dichloro-4-fluorophenol
- English name
- 2,6-Dichloro-4-fluorophenol
- Molecular formula
- C6H3Cl2FO
- Molecular weight
- 180.99
Names & synonyms
Show more names
Database identifiers
- CAS
392-71-2- PubChem CID
- 94950
- DTXSID
DTXSID30192447- EC Number
- 609-626-4
- Nikkaji
- J534.060H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 49 · 49-51 °C(lit.)
- Boiling point
- 142 °C · 142 °C
- Density
- 1.4571 · 1.4571 (estimate)
- Flash point
- 218 °F · 218 °F
- storage temp.
- 2 · 2-8°C
- pka
- 7.05 · 7.05±0.23(Predicted)
- form
- Shiny Crystals
- color
- White
- BRN
- 2046856 · 2046856
- CAS DataBase Reference
- 392 · 392-71-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS06,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H301-H311-H314-H318-H401-H411
- Precautionary statements
- 260 h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P260h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, IRRITANT-HARMFUL
- HS Code
- 29081900 · 29081900
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (11.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (86.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (11.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29081900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05,GHS06,GHS09
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 8
- Hazard statements
- H315-H319-H301-H311-H314-H318-H401-H411
- Precautionary statements
- P260h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,6-Dichloro-4-fluorophenol is a fluorophenol compound that can be used in substitution, esterification or condensation reactions for the preparation of other organic heterocyclic compounds.
Upstream & downstream products
Downstream products
Suppliers74 total
Related reactions
Compound notes
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