1,3,5-Trifluoro-2,4,6-trimethylbenzene
Basic information
- CAS
363-64-4- Standard SMILES
Cc1c(F)c(C)c(F)c(C)c1F- InChIKey
AWOTVEDDCKYHRO-UHFFFAOYSA-N- Molecular formula
- C9H9F3
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.06563477
Names & identifiers
- Preferred name
- 1,3,5-Trifluoro-2,4,6-trimethylbenzene
- IUPAC
- 1,3,5-trifluoro-2,4,6-trimethylbenzene
- English name
- 1,3,5-Trifluoro-2,4,6-trimethylbenzene
- Molecular formula
- C9H9F3
- Molecular weight
- 174.16
Names & synonyms
1,3,5-trifluoro-2,4,6-trimethylbenzeneRefChem:412637831-359-9363-64-4Benzene, 1,3,5-trifluoro-2,4,6-trimethyl-Benzene,1,3,5-trifluoro-2,4,6-trimethyl-MFCD04039203trifluoromesityleneNSC10356SCHEMBL1998603DTXSID60189840NSC 10356
Show more names
1,3,5-TRICHLORO-2,4,6-TRIMETHYLBENZENE2,2-bis(1-methyl-3-indolyl)propanoic acid
NSC-10356SBB088889AKOS0253103792,4,6-trifluoro-1,3,5-trimethylbenzene1,3,5-trifluoro-2,4,6-trimethyl-benzeneEN300-6729570
Database identifiers
- CAS
363-64-4- PubChem CID
- 136195
- DTXSID
DTXSID60189840- EC Number
- 831-359-9
- Nikkaji
- J1.456.892A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 67 · 67-68
- Boiling point
- 168 · 168-169
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2909309090 · 2909309090
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 2 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
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
0 records
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Compound notes
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