Basic information
- CAS
53531-34-3- Standard SMILES
OC(c1c2ccccc2cc2ccccc12)C(F)(F)F- InChIKey
ICZHJFWIOPYQCA-UHFFFAOYSA-N- Molecular formula
- C16H11F3O
- Average molar mass
- 276.25 g/mol
- Monoisotopic mass
- 276.07619946
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-(9-anthryl)ethanol
- IUPAC
- 1-anthracen-9-yl-2,2,2-trifluoroethanol
- English name
- alpha-(trifluoromethyl)anthracene-9-methanol
- Molecular formula
- C16H11F3O
- Molecular weight
- 276.25
Names & synonyms
2,2,2-Trifluoro-1-(9-anthryl)ethanol65487-67-460686-64-8pirkle's alcohol5K227FG858F3EtOH-9-anthRefChem:863650265-791-9670-952-51-(Anthracen-9-yl)-2,2,2-trifluoroethanol1-(9-Anthryl)-2,2,2-trifluoroethanolalpha-(Trifluoromethyl)anthracene-9-methanol
Show more names
Einecs 265-791-9α-Trifluoromethyl-9-anthracenemethanolα-(Trifluoromethyl)anthracene-9-methanolα-(Trifluoromethyl)-9-anthracenemethanol2,2,2-Trifluoro-1-(anthracen-9-yl)ethanol9-Anthracenemethanol, α-(trifluoromethyl)-
MFCD000629671-anthracen-9-yl-2,2,2-trifluoroethanolalpha-(Trifluoromethyl)-9-anthracenemethanol1-(anthracen-9-yl)-2,2,2-trifluoroethan-1-ol2-(9-anthryl)-1,1,1-trifluoroethanolSCHEMBL24821832,2,2-Trifluoro-1-(9-anthracenyl)ethanolAKOS015852710
Database identifiers
- CAS
53531-34-3、60646-30-2、60686-64-8、65487-67-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 142 to · 142.0 to 144.0 °C
- Boiling point
- 423.1 · 423.1±45.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 11.91 · 11.91±0.30(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Green
- FDA UNII
- 5 K227FG858 · 5K227FG858
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2914390090 · 2914390090
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.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers9 total
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
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