3-Fluorobenzoyl chloride (HCID 74376)

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 properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
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
NIST Chemistry Reference: 3 · Benzoyl chloride, 3-fluoro-(1711-07-5)
EPA Substance Registry System: 3 · Benzoyl chloride, 3-fluoro- (1711-07-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H227-H290-H318
Precautionary statements: 210 e-P260h-P303+P361+P353-P501a-P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501-P280-P305+P351+P338-P310 · P210e-P260h-P303+P361+P353-P501a-P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501-P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-37-36/37-14
Safety Statements: 26 · 26-36/37/39-45-28A-27
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 19 · 19
Hazard Note: Corrosive/Lachrymatory
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163900 · 29163900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
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

GHS classification

GHS Classification · 5 items

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
hs_code: 29163900
risk_code: 34-37-36/37-14
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-28A-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314-H227-H290-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)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P210e-P260h-P303+P361+P353-P501a-P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501-P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoyl chloride, 3-fluoro-: ACTIVE

Applications · 1 item

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.