2,3,4,5,6-Pentafluorobenzhydryl alcohol
Basic information
- CAS
1944-05-4- Standard SMILES
OC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F- InChIKey
PMIIFKURPQGSMI-UHFFFAOYSA-N- Molecular formula
- C13H7F5O
- Average molar mass
- 274.19 g/mol
- Monoisotopic mass
- 274.04170565
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentafluorobenzhydryl alcohol
- IUPAC
- (2,3,4,5,6-pentafluorophenyl)-phenylmethanol
- English name
- 2,3,4,5,6-PENTAFLUOROBENZHYDROL
- Molecular formula
- C13H7F5O
- Molecular weight
- 274.19
Names & synonyms
2,3,4,5,6-Pentafluorobenzhydrol2,3,4,5,6-Pentafluorobenzhydryl alcoholEINECS 217-741-2RefChem:441633217-741-21944-05-4(2,3,4,5,6-Pentafluorophenyl)(phenyl)methanolPENTAFLUOROBENZHYDROL(2,3,4,5,6-pentafluorophenyl)-phenylmethanol(perfluorophenyl)(phenyl)methanolMFCD00004489(pentafluorophenyl)(phenyl)methanol
Show more names
α-(pentafluorophenyl)benzenemethanolALPHA-(PENTAFLUOROPHENYL)BENZENEMETHANOLα-Phenyl-2,3,4,5,6-pentafluorobenzenemethanolα-(2,3,4,5,6-Pentafluorophenyl)benzyl alcohol2,3,4,5,6-Pentafluoro-α-phenylbenzenemethanol2,3,4,5,6-Pentafluoro-α-phenylbenzenemethanol
SCHEMBL5873438DTXSID70941173AKOS009159011CS-0328411NS00045961ST504115012,3,4,5,6-Pentafluoro-a-phenylbenzenemethanolH61785
Database identifiers
- CAS
1944-05-4- PubChem CID
- 102725
- DTXSID
DTXSID70941173- EC Number
- 217-741-2
- Nikkaji
- J199.761K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 54 °C · 54 °C
- Boiling point
- 115 °C · 115 °C
- Flash point
- 110 °C · >110°C
- CAS DataBase Reference
- 1944 · 1944-05-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29062990 · 29062990
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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