3-Fluorobenzoyl chloride
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Basic information
- CAS
1711-07-5- Standard SMILES
O=C(Cl)c1cccc(F)c1- InChIKey
SYVNVEGIRVXRQH-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO
- Average molar mass
- 158.56 g/mol
- Monoisotopic mass
- 157.9934706
Names & identifiers
- Preferred name
- 3-Fluorobenzoyl chloride
- IUPAC
- 3-fluorobenzoyl chloride
- English name
- 3-Fluorobenzoyl chloride
- Molecular formula
- C7H4ClFO
- Molecular weight
- 158.56
Names & synonyms
3-Fluorobenzoyl chlorideBenzoyl chloride, 3-fluoro-3-Fluorobenzoxyl chlorideEINECS 216-977-3NSC 88315meta-Fluorobenzoyl chlorideDTXSID5061906RefChem:93951DTXCID7035480216-977-3SYVNVEGIRVXRQH-UHFFFAOYSA-N1711-07-5
Show more names
m-FluorobenzoylAKOS BBS-000039153-Fluorobenzoyl chlofluorobenzoylchloride3-fluoro-benzoylchlorid3-Fluorobenzoylchloride98%3-FluorobenzoylChloride>
m-Fluorobenzoyl chloride3-fluorobenzoylchlorideMFCD00000670Benzoyl chloride, m-fluoro-m-Fluorobenzoic acid chloride3-fluorobenzoic acid chlorideYP3X7K7SYBNSC-88315
Database identifiers
- CAS
1711-07-5- PubChem CID
- 74376
- DTXSID
DTXSID5061906- UNII
- YP3X7K7SYB
- EC Number
- 216-977-3
- Nikkaji
- J143K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- -30 °C · -30 °C (lit.)
- Boiling point
- 189 °C · 189 °C (lit.)
- Density
- 1.304 g/mL · 1.304 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.529(lit.)
- Flash point
- 180 °F · 180 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- color
- Clear colorless to light yellow
- Sensitive
- Lachrymatory
- BRN
- 636610 · 636610
- InChI
- InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
- InChIKey
- SYVNVEGIRVXRQH-UHFFFAOYSA-N
- SMILES
- C(Cl)(=O)C1=CC=CC(F)=C1
- CAS DataBase Reference
- 1711 · 1711-07-5(CAS DataBase Reference)
- FDA UNII
- 3 X7K7SYB · YP3X7K7SYB
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, 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 51 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Regulatory information
Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 3-fluoro-: ACTIVE
Applications
Uses3-Fluorobenzoyl chloride was used in synthesis of 4-[18F]fluoro-N-[2-[1-(2-methoxyphenyl)-1-piperazinyl]ethyl-N-2-pyridinyl-benzamide by radiosynthesis. It was also used as reagent in one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol-5-yl)amides. It was used in three phase hollow fiber liquid-phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
241 records
Compound notes
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