2,6-Bis(trifluoromethyl)benzonitrile
Basic information
- CAS
25753-25-7- Standard SMILES
N#Cc1c(C(F)(F)F)cccc1C(F)(F)F- InChIKey
ANWBHDYEEOSTSE-UHFFFAOYSA-N- Molecular formula
- C9H3F6N
- Average molar mass
- 239.12 g/mol
- Monoisotopic mass
- 239.01696807
Names & identifiers
- Preferred name
- 2,6-Bis(trifluoromethyl)benzonitrile
- IUPAC
- 2,6-bis(trifluoromethyl)benzonitrile
- English name
- 2,6-BIS(TRIFLUOROMETHYL)BENZONITRILE
- Molecular formula
- C9H3F6N
- Molecular weight
- 239.12
Names & synonyms
2,6-bis(trifluoromethyl)benzonitrile25753-25-72,6-Di(trifluoromethyl)benzonitrileMFCD000612262,6-bis(trifluoromethyl)benzenecarbonitrileSCHEMBL1906819DTXSID003711411,3-Bis(trifluoromethyl)-2-cyanobenzeneAMY8676SBB064655AKOS015890192AB93173
Show more names
Benzonitrile, 2,6-bis(trifluoromethyl)-2,6-Bis(trifluoromethyl)benzonitrile98%2,6-Bis(trifluoromethyl)benzonitrile 98%
PS-7605SY101462DB-067455CS-0067899F006012
Database identifiers
- CAS
25753-25-7- PubChem CID
- 2736119
- DTXSID
DTXSID00371141- Nikkaji
- J3.791.916K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 202 ℃ · 202℃
- Density
- 1.45 · 1.45
- Flash point
- 76 ℃ · 76℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- crystals
- color
- white
- CAS DataBase Reference
- 25753 · 25753-25-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Toxic
- HazardClass
- 6.1 · 6.1
- HS Code
- 2926907090 · 2926907090
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H302-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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