Basic information
- CAS
1598-89-6- Standard SMILES
OC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1- InChIKey
WWKAKFGJTVATRV-UHFFFAOYSA-N- Molecular formula
- C15H10F6O
- Average molar mass
- 320.23 g/mol
- Monoisotopic mass
- 320.06358391
Names & identifiers
- Preferred name
- Bis(3-(trifluoromethyl)phenyl)methanol
- IUPAC
- bis[3-(trifluoromethyl)phenyl]methanol
- English name
- 3,3'-Bis(trifluoromethyl)benzhydrol
- Molecular formula
- C15H10F6O
- Molecular weight
- 320.23
Names & synonyms
1598-89-6Bis(3-(trifluoromethyl)phenyl)methanolbis[3-(trifluoromethyl)phenyl]methanol3,3'-Bis(trifluoromethyl)benzhydrolMFCD000392283,3/'-BIS(TRIFLUOROMETHYL)BENZHYDROL3-(TRIFLUOROMETHYL)-ALPHA-[3-(TRIFLUOROMETHYL)PHENYL]BENZENEMETHANOLSCHEMBL4135956SCHEMBL10842400DTXSID90371135di[3-(trifluoromethyl)phenyl]methanol3,3''-Bis(trifluoromethyl)benzhydrol
Show more names
3,3'-DI(TRIFLUOROMETHYL)BENZHYDROL3,3'-Bis(trifluoromethyl)benzhydrol97%3,3′-Bis(trifluoromethyl)benzhydrol, CAS 1598-89-63-(Trifluoromethyl)-α-[3-(trifluoromethyl)phenyl]benzenemethanolBenzenemethanol, 3-(trifluoromethyl)-α-[3-(trifluoromethyl)phenyl]-
AKOS005257536CCG-251185PS-11009bis[3-(trifluoromethyl)phenyl]methan-1-olDB-043439CS-0324260ST51041666H70910
Database identifiers
- CAS
1598-89-6- PubChem CID
- 2736113
- DTXSID
DTXSID90371135- EC Number
- 642-755-4
- Nikkaji
- J1.461.857K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 48 · 48.0-49.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 118 °C/2mm · 118°C/2mm
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.17 · 13.17±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2906290090 · 2906290090
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 2 reports by companies from 1 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
- hs_code
- 2906290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
8 records
Compound notes
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