CAS 2268-16-8 2,4,5-Trifluorophenol (HCID 123153)

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Basic information

CAS: 2268-16-8
Standard SMILES: Oc1cc(F)c(F)cc1F
InChIKey: ODGMYCITQAIRCI-UHFFFAOYSA-N
Molecular formula: C6H3F3O
Average molar mass: 148.08 g/mol
Monoisotopic mass: 148.01359938

Names & identifiers

Preferred name: 2,4,5-Trifluorophenol
IUPAC: 2,4,5-trifluorophenol
English name: 2,4,5-Trifluorophenol
Molecular formula: C6H3F3O
Molecular weight: 148.08

Names & synonyms

2,4,5-TrifluorophenolPhenol, 2,4,5-trifluoro-Phenol,2,4,5-trifluoro-DTXSID10177212RefChem:245574DTXCID3099703642-677-0ODGMYCITQAIRCI-UHFFFAOYSA-N2268-16-8MFCD000612152,4,5-trifluoro-phenolSCHEMBL318772

Show more names

2,4,5-Tfifluorophenol2,4,5-Trifluorophenol98%2,4,5-Trifluorophenol 98%2,4,5-Trifluorophenol, 94%,2,4,5-Trifluorophenol, 98% 1GR2,4,5-TRIFLUOROPHENOL ISO 9001：2015 REACH

2,4,5-Trifluorophenol, 98%CK1179AKOS000121106?2,4,5-trifluorophenol2-Amino-2-methyl-butyric hydrochlorideSCHEMBL2638657CS-W018193FT64443

Database identifiers

CAS: 2268-16-8
PubChem CID: 123153
DTXSID: DTXSID10177212
EC Number: 642-677-0
Nikkaji: J801.746H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 37 · 37-42 °C
Boiling point: 57 C · 57 C
Density: 1.4585 · 1.4585 (estimate)
Flash point: 54 °C · 54 °C
storage temp.: 2 · Sealed in dry,2-8°C
pka: 7.74 · 7.74±0.23(Predicted)
form: Crystalline Powder or Chunks
color: White
CAS DataBase Reference: 2268 · 2268-16-8(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS05,GHS06
Signal word: Danger
Hazard statements: 228 · H228-H301-H311-H314-H318
Precautionary statements: 210 · P210-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C-F,Xi
Risk Statements: 34 · 34-20/21/22-11-36/37/38
Safety Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (13.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, 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, P370+P378, 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.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 2 (13.6%)

Safety data

ridadr: 1993
hs_code: 29081000
risk_code: 34-20/21/22-11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: C-F,Xi
hazard_note: Irritant
safety_code: 45-36/37/39-26-16-36
hazard_class: 4.1
packing_group: III
Hazard statements: H228-H301-H311-H314-H318
Precautionary statements: P210-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a