1-Bromo-3-[(trifluoromethyl)sulfanyl]benzene
Basic information
- CAS
2252-45-1- Standard SMILES
FC(F)(F)Sc1cccc(Br)c1- InChIKey
OLHXBVBNFOHXOB-UHFFFAOYSA-N- Molecular formula
- C7H4BrF3S
- Average molar mass
- 257.07 g/mol
- Monoisotopic mass
- 255.91692
Names & identifiers
- Preferred name
- 1-Bromo-3-[(trifluoromethyl)sulfanyl]benzene
- IUPAC
- 1-bromo-3-(trifluoromethylsulfanyl)benzene
- English name
- 3-(Trifluoromethylthio)bromobenzene
- Molecular formula
- C7H4BrF3S
- Molecular weight
- 257.07
Names & synonyms
1-bromo-3-[(trifluoromethyl)sulfanyl]benzeneDTXSID403713071-bromo-3-((trifluoromethyl)sulfanyl)benzeneRefChem:430440DTXCID10322341671-803-72252-45-1(3-Bromophenyl)(trifluoromethyl)sulfane3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE3-Bromophenyl trifluoromethyl sulfideMFCD002363481-bromo-3-(trifluoromethylsulfanyl)benzene
Show more names
3-(TRIFLUOROMETHYLTHIO)BROMOBE3-TRIFLUOROMETHYLMERCAPTOBROMOBENZENE3-BROMOPHENYL TRIFLUOROMETHYL SULPHIDE3-Bromophenyltrifluoromethylsulphide98%
3-bromo-1-(trifluoromethylthio)benzene3-Bromophenyl trifluoromethylsulfide1-bromo-3-trifluoromethylthiobenzeneSCHEMBL1335305SY063153Benzene, 1-bromo-3-[(trifluoromethyl)thio]-1-bromo-3-trifluoromethylsulfanyl-benzeneFT-0634167
Database identifiers
- CAS
2252-45-1- PubChem CID
- 2736361
- DTXSID
DTXSID40371307- EC Number
- 671-803-7
- Nikkaji
- J2.424.792I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 192 · 192-194℃
- Density
- 1.71 · 1.71±0.1 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.5117 · 1.5117 (589.3 nm 25℃)
- Flash point
- 51.3 · 51.3±27.3℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Clear, colourless
- Sensitive
- Stench
- CAS DataBase Reference
- 2252 · 2252-45-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 411 · P411+P235-P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1760 · 1760
- Hazard Note
- Irritant/Stench
- HazardClass
- 8 · 8
- PackingGroup
- Ⅱ
- HS Code
- 2930909899 · 2930909899
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
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
- ridadr
- 1760
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Stench
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- Ⅱ
- Hazard statements
- H317-H319
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P411+P235-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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