2,6-Bis(trifluoromethyl)benzoyl chloride
Basic information
- CAS
53130-44-2- Standard SMILES
O=C(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F- InChIKey
NQMCJGTVZMBTDS-UHFFFAOYSA-N- Molecular formula
- C9H3ClF6O
- Average molar mass
- 276.56 g/mol
- Monoisotopic mass
- 275.9776614
Names & identifiers
- Preferred name
- 2,6-Bis(trifluoromethyl)benzoyl chloride
- IUPAC
- 2,6-bis(trifluoromethyl)benzoyl chloride
- English name
- 2,6-Bis(trifluoromethyl)benzoyl chloride
- Molecular formula
- C9H3ClF6O
- Molecular weight
- 276.56
Names & synonyms
2,6-bis(trifluoromethyl)benzoyl chloride53130-44-2DTXSID60371147RefChem:248067DTXCID30322181MFCD00061228SCHEMBL8447031AKOS005257723FS-41072,6-Bis-trifluoromethylbenzoyl chloride2,6-Bis(trifluoromethyl)benzoylchloride98%DB-020142
Show more names
Benzoyl chloride, 2,6-bis(trifluoromethyl)-2,6-Bis(trifluoromethyl)benzoyl chloride 98%2,6-Bis(trifluoromethyl)benzoyl chloride, 97+%
2,6-Bis(trifluoromethyl)benzoyl chloride, 97%H37093F006019
Database identifiers
- CAS
53130-44-2- PubChem CID
- 2736128
- DTXSID
DTXSID60371147- EC Number
- 642-643-5
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 219.4 · 219.4±40.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- refractive index
- 1.4304 · 1.4304
- Flash point
- 74 ° · 74°
- form
- liquid
- color
- clear, colourless
- Sensitive
- Moisture Sensitive
- CAS DataBase Reference
- 53130 · 53130-44-2(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34-14
- Safety Statements
- 26 · 26-36/37/39-60-45-30-20-8
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 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 CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2916399090
- risk_code
- 34-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-60-45-30-20-8
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318
- 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
Suppliers
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Related reactions
0 records
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Compound notes
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