4-Chloro-2-(trifluoromethyl)phenol
Basic information
- CAS
53903-51-8- Standard SMILES
Oc1ccc(Cl)cc1C(F)(F)F- InChIKey
LUYVFIYUQPJQOJ-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3O
- Average molar mass
- 196.55 g/mol
- Monoisotopic mass
- 195.9902769
Names & identifiers
- Preferred name
- 4-Chloro-2-(trifluoromethyl)phenol
- IUPAC
- 4-chloro-2-(trifluoromethyl)phenol
- English name
- 4-CHLORO-2-(TRIFLUOROMETHYL)PHENOL
- Molecular formula
- C7H4ClF3O
- Molecular weight
- 196.55
Names & synonyms
4-Chloro-2-(trifluoromethyl)phenol53903-51-8DTXSID30512929RefChem:98351DTXCID40463736831-787-64-Chloro-2-trifluoromethylphenolMFCD000606734-Chloro-2-trifluoromethyl-phenolPhenol, 4-chloro-2-(trifluoromethyl)-SCHEMBL1116804AKOS009327542
Show more names
UKRORGSYN-BB BBV-5105736
CS-W022136DS-6580MB00505SY103010AM807379SCHEMBL11669300DA-18150EN300-126482
Database identifiers
- CAS
53903-51-8- PubChem CID
- 12918151
- DTXSID
DTXSID30512929- EC Number
- 831-787-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 189 · 189.0±35.0 °C(Predicted)
- Density
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.54 · 7.54±0.43(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- HS Code
- 2908990000 · 2908990000
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2908990000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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