Basic information
- CAS
106889-91-2- Standard SMILES
Cc1cc(O)ccc1C(F)(F)F- InChIKey
RINRJHSRTCOBEI-UHFFFAOYSA-N- Molecular formula
- C8H7F3O
- Average molar mass
- 176.14 g/mol
- Monoisotopic mass
- 176.04489933
Names & identifiers
- Preferred name
- 3-Methyl-4-(trifluoromethyl)phenol
- IUPAC
- 3-methyl-4-(trifluoromethyl)phenol
- English name
- 3-methyl-4-(trifluoromethyl)phenol
- Molecular formula
- C8H7F3O
- Molecular weight
- 176.14
Names & synonyms
3-Methyl-4-(trifluoromethyl)phenol106889-91-2SCHEMBL9694190SCHEMBL29426965RINRJHSRTCOBEI-UHFFFAOYSA-NMFCD16997504MB23397DB-084246C90898EN300-1615095Phenol, 3-methyl-4-(trifluoromethyl)-3-methyl-4-trifluoromethylbenzenephenol
Database identifiers
- CAS
106889-91-2- PubChem CID
- 15919092
- EC Number
- 875-843-8
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 155
Physicochemical properties
- Boiling point
- 205.9 · 205.9±35.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 8.68 · 8.68±0.18(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers8 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京思诺康科技有限公司13891683844 13891683844 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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