2-Bromo-3-(trifluoromethyl)toluene
Basic information
- CAS
1099597-98-4- Standard SMILES
Cc1cccc(C(F)(F)F)c1Br- InChIKey
XVWSTGYAPNVWGV-UHFFFAOYSA-N- Molecular formula
- C8H6BrF3
- Average molar mass
- 239.03 g/mol
- Monoisotopic mass
- 237.9605
Names & identifiers
- Preferred name
- 2-Bromo-3-(trifluoromethyl)toluene
- IUPAC
- 2-bromo-1-methyl-3-(trifluoromethyl)benzene
- English name
- 2-BroMo-1-Methyl-3-(trifluoroMethyl)benzene
- Molecular formula
- C8H6BrF3
- Molecular weight
- 239.03
Names & synonyms
1099597-98-42-Bromo-3-(trifluoromethyl)tolueneRefChem:466241810-784-32-bromo-1-methyl-3-(trifluoromethyl)benzene2-Bromo-3-methylbenzotrifluorideMFCD11100539SCHEMBL2285857SCHEMBL8118306SCHEMBL28404181SCHEMBL29932856XVWSTGYAPNVWGV-UHFFFAOYSA-N
Show more names
ZTB59798CL9426AKOS005255486AS-46342SY070086DB-251354CS-0186570Benzene, 2-bromo-1-methyl-3-(trifluoromethyl)-
Database identifiers
- CAS
1099597-98-4- PubChem CID
- 22754145
- EC Number
- 810-784-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 187.1 · 187.1±35.0 °C(Predicted)
- Density
- 1.538 · 1.538±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- HS Code
- 2903998090 · 2903998090
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
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
Safety data
- hs_code
- 2903998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Suppliers
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Related reactions
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Compound notes
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