Basic information
- CAS
94695-48-4- Standard SMILES
O=C(Cl)c1cc(F)c(F)c(F)c1F- InChIKey
XWCKIXLTBNGIHV-UHFFFAOYSA-N- Molecular formula
- C7HClF4O
- Average molar mass
- 212.53 g/mol
- Monoisotopic mass
- 211.96520521
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrafluorobenzoyl chloride
- IUPAC
- 2,3,4,5-tetrafluorobenzoyl chloride
- English name
- 2,3,4,5-Tetrafluorobenzoyl chloride
- Molecular formula
- C7HClF4O
- Molecular weight
- 212.53
Names & synonyms
2,3,4,5-Tetrafluorobenzoyl chloride94695-48-4DTXSID30369975EC 619-058-9RefChem:81250DTXCID10321011619-058-92,3,4,5-tetrafluorobenzoylchlorideC7HClF4OBenzoyl chloride, 2,3,4,5-tetrafluoro-tetrafluorobenzoyl chlorideMFCD00075164
Show more names
SKL1307Moxifloxacin Impurity 862,3,4,5-Tetrafluorobenzoyl2,3,4,5-TETRAFLUORBENZOYLCHLORID2,3,4,5-TETRAFLUOROBEZOYL CHLORIDE2,3,4,5-Tetrafluorboenzoyl Chloride2,3,4,5-Tetrafluorobenzoylchloride98%
2,3,4,5-tetrafluoro benzoyl chloride2,3,4,5-tetrafluorobenzoic acid chloride2,3,4,5- Tetrafluorobenzoyl chloride2,3,4,5-tetrafluoro-benzoyl chlorideM5RD6UU23USCHEMBL345016orb29394252,3,4,5-tetrafluorobenzoyl chlorde
Database identifiers
- CAS
94695-48-4- PubChem CID
- 2733689
- DTXSID
DTXSID30369975- UNII
- M5RD6UU23U
- EC Number
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 65 · 65-66°C 10mm
- Density
- 1.58 g/mL · 1.58 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4787(lit.)
- Flash point
- 194 °F · 194 °F
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.58 · 1.580
- Sensitive
- Moisture Sensitive
- BRN
- 5266860 · 5266860
- InChI
- InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
- InChIKey
- XWCKIXLTBNGIHV-UHFFFAOYSA-N
- SMILES
- C(Cl)(=O)C1=CC(F)=C(F)C(F)=C1F
- CAS DataBase Reference
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
This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.
Danger
H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 07-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27789
Hazard Classes and CategoriesSkin Corr. 1B (97.9%)
Safety data
- F
- 10-19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163990
- risk_code
- 34-37-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-25
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
Uses2,3,4,5-Tetrafluorobenzoyl chloride was used in the preparation of 4-hydroxy-1-(3-pyridyl)-1-butanone-tetrafluorobenzoate. It was also used in the synthesis of N-[(4-carbamoylphenyl)carbamothioyl]-2,3,4,5-tetrafluorobenzamide.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
71 records
Compound notes
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