Basic information
- CAS
678164-78-8- Standard SMILES
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CCl- InChIKey
DAIJRQFQVXPBCI-UHFFFAOYSA-N- Molecular formula
- C12H9ClF3NO
- Average molar mass
- 275.65 g/mol
- Monoisotopic mass
- 275.0324761
Names & identifiers
- Preferred name
- 4-Chloromethyl-5-methyl-2-(3-trifluoromethyl-phenyl)-oxazole
- IUPAC
- 4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
- English name
- 4-(Chloromethyl)-5-methyl-2-(3-(trifluoromethyl)phenyl)oxazole
- Molecular formula
- C12H9ClF3NO
- Molecular weight
- 275.65
Names & synonyms
678164-78-84-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole4-Chloromethyl-5-methyl-2-(3-trifluoromethyl-phenyl)-oxazoleOxazole, 4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-4-(CHLOROMETHYL)-5-METHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]oxazolestarbld0023262SCHEMBL2081784DTXSID20442206DCB16478MFCD09759022AKOS015996343
Show more names
EN300-1726248
Database identifiers
- CAS
678164-78-8- PubChem CID
- 10588461
- DTXSID
DTXSID20442206- EC Number
- 171-899-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 346.1 · 346.1±52.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.26(Predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers3 total
Fluorochem Ltd[email protected]
BETAPHARMA[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
10 records
Compound notes
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