Basic information
- CAS
392-83-6- Standard SMILES
FC(F)(F)c1ccccc1Br- InChIKey
RWXUNIMBRXGNEP-UHFFFAOYSA-N- Molecular formula
- C7H4BrF3
- Average molar mass
- 225.01 g/mol
- Monoisotopic mass
- 223.94484689
Names & identifiers
- Preferred name
- Benzene, 1-bromo-2-(trifluoromethyl)-
- IUPAC
- 1-bromo-2-(trifluoromethyl)benzene
- English name
- 2-Bromobenzotrifluoride
- Molecular formula
- C7H4BrF3
- Molecular weight
- 225.01
Names & synonyms
2-Bromobenzotrifluoride392-83-61-Bromo-2-(trifluoromethyl)benzeneBenzene, 1-bromo-2-(trifluoromethyl)-BRN 1945750EINECS 206-879-92-Bromotrifluoromethylbenzene2-(TRIFLUOROMETHYL)BROMOBENZENEo-Bromo(trifluoromethyl)benzeneDTXSID70599394-05-00-00831 (Beilstein Handbook Reference)o-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene
Show more names
1-bromo-2-(trifluoromethyl)-benzen2-BromobenzotrifL2-BromobenzotrifluorEtrasimod Impurity 132-BROMOTRIFLUOROTOLUENEo-Bromobenzyltrifluoride
o-Bromo-alpha,alpha,alpha-trifluorotolueneRefChem:117313DTXCID4039605InChI=1/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4RWXUNIMBRXGNEP-UHFFFAOYSA-No-Bromobenzotrifluoride2-Bromo-alpha,alpha,alpha-trifluorotoluene2-Brombenzotrifluorid
Database identifiers
- CAS
392-83-6- PubChem CID
- 9806
- DTXSID
DTXSID7059939- EC Number
- 206-879-9
- Nikkaji
- J48.884D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 149.3 · 149.3-149.6 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 167 · 167-168 °C(lit.)
- Density
- 1.652 g/mL · 1.652 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.482(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Liquid
- Specific Gravity
- 1.652 · 1.652
- color
- Clear colorless to brown
- BRN
- 1945750 · 1945750
- InChI
- InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChIKey
- RWXUNIMBRXGNEP-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=CC=C1C(F)(F)F
- CAS DataBase Reference
- 392 · 392-83-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 · Benzene, 1-bromo-2-(trifluoromethyl)-(392-83-6)
- EPA Substance Registry System
- 1 · Benzene, 1-bromo-2-(trifluoromethyl)- (392-83-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,F
- Risk Statements
- 10 · 10-36/38-36/37/38
- Safety Statements
- 16 · 16-26-36-37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 7980000 · XS7980000
- Hazard Note
- Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (91.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XS7980000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29039990
- risk_code
- 10-36/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi,F
- hazard_note
- Flammable
- safety_code
- 16-26-36-37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-2-(trifluoromethyl)-: ACTIVE
Applications
Uses2-Bromotrifluorotoluene can be used as an intermediate for dyes, medicines, and pesticides.
Upstream & downstream products
Downstream products
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Related reactions
70 records
Compound notes
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