4-Fluorobenzoyl chloride

HCID 67879
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Basic information

CAS
403-43-0
Standard SMILES
O=C(Cl)c1ccc(F)cc1
InChIKey
CZKLEJHVLCMVQR-UHFFFAOYSA-N
Molecular formula
C7H4ClFO
Average molar mass
158.56 g/mol
Monoisotopic mass
157.99347065

Names & identifiers

Preferred name
4-Fluorobenzoyl chloride
IUPAC
4-fluorobenzoyl chloride
English name
4-Fluorobenzoyl chloride
Molecular formula
C7H4ClFO
Molecular weight
158.56

Names & synonyms

4-Fluorobenzoyl chloride403-43-0Benzoyl chloride, 4-fluoro-p-Fluorobenzoyl chlorideBenzoyl chloride, p-fluoro-p-Fluorobenzoic acid chlorideEINECS 206-961-4NSC 88305DTXSID5059953CZKLEJHVLCMVQR-UHFFFAOYSA-pFluorobenzoyl chlorideBenzoyl chloride, pfluoro
Show more names
DK122SKL746p-FluorobenzoylAKOS BBS-000039214-Fluorobenzoyl chloFluorobenzoyl chlorid4-FluorbenzoylchloridLABOTEST-BB LTBB0007474-Fluorobenozylchloride
RefChem:523397Benzoyl chloride, 4fluoropFluorobenzoic acid chlorideDTXCID2039750206-961-4InChI=1/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H4-fluorobenzoylchlorideMFCD00000684

Database identifiers

CAS
403-43-0
PubChem CID
67879
DTXSID
DTXSID5059953
UNII
WW9JD3YJ9Q
EC Number
206-961-4
Nikkaji
J45K

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless liquid with a pungent odor; mp = 10-12 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
10 · 10-12 °C (lit.)
Boiling point
82 °C/20 · 82 °C/20 mmHg (lit.)
Density
1.342 g/mL · 1.342 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.532(lit.)
Flash point
180 °F · 180 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 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 64 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoyl chloride, 4-fluoro-

4-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
10-19
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29163900

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoyl chloride, 4-fluoro-: ACTIVE

Applications

UsesIt is used in the synthesis of polyphenylene ether and thioether ketones and also in the synthesis fluorinated poly(aryl ether ketone)s containing 1,4-naphthalene moieties. It is also used as a raw material in engineering of plastics.

General Description4-Fluorobenzoyl chloride undergoes Friedel-Crafts acylation reaction with 2,6-dimethylnaphthalene to give 1,5-bis(4-fluorobenzoyl)-2,6-dimethylnaphthalene.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

1,189 records
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Compound notes

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