Basic information
- CAS
586369-93-9- Standard SMILES
CC(C)C(=O)c1cccc(C(F)(F)F)c1- InChIKey
OSZRQYTWONOZBA-UHFFFAOYSA-N- Molecular formula
- C11H11F3O
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.07619946
Names & identifiers
- Preferred name
- 2-Methyl-1-(3-(trifluoromethyl)phenyl)propan-1-one
- IUPAC
- 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one
- English name
- 2-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-ONE
- Molecular formula
- C11H11F3O
- Molecular weight
- 216.2
Names & synonyms
586369-93-92-Methyl-1-(3-(trifluoromethyl)phenyl)propan-1-one2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-oneMFCD004585432-Methyl-1-[3-(trifluoromethyl)phenyl]-1-propanoneSCHEMBL10819628OSZRQYTWONOZBA-UHFFFAOYSA-NLYA36993AKOS010014970AS-68385SY184266CS-0101663
Show more names
EN300-65541N12571F6058921-Propanone, 2-methyl-1-[3-(trifluoromethyl)phenyl]-Z513733230
Database identifiers
- CAS
586369-93-9- PubChem CID
- 4498085
- EC Number
- 157-177-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 216.3 · 216.3±35.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers11 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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