2,6-Difluorobenzoyl chloride

HCID 87438CAS 18063-02-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cl)c1c(F)cccc1F
InChIKey
QRHUZEVERIHEPT-UHFFFAOYSA-N
Molecular formula
C7H3ClF2O
Average molar mass
176.55 g/mol
Monoisotopic mass
175.98404884

Names & identifiers

Preferred name
2,6-Difluorobenzoyl chloride
IUPAC
2,6-difluorobenzoyl chloride
English name
2,6-Difluorobenzoyl chloride
Molecular formula
C7H3ClF2O
Molecular weight
176.55

Names & synonyms

2,6-Difluorobenzoyl chloride18063-02-0EINECS 241-971-2DTXSID90170988RefChem:83232DTXCID0093479241-971-2Benzoyl chloride, 3,4-difluoro-QRHUZEVERIHEPT-UHFFFAOYSA-NBenzoyl chloride, 2,6-difluoro-2,6-difluorobenzoylchlorideMFCD00000659
Show more names
FACFUROIC ACIDSKL122496.0%(T&2,6-difluoro2-CARBOXYFURANPYROMUCIC ACIDAKOS BBS-00003916ALPHA-FUROIC ACIDAKOS BBS-00003721
2,6-diflurobenzoyl chloride2,6-diflourobenzoyl chloride2,6-difluoro benzoylchloride2.6-difluorobenzoyl chloride2,6-difluro-benzoyl chlorideSCHEMBL1052552,6-difluoro benzoyl chloride2,6-difluoro-benzoyl chloride

Database identifiers

CAS
18063-02-0
PubChem CID
87438
DTXSID
DTXSID90170988
EC Number
241-971-2
Nikkaji
J260.859F

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
128 · 128-132 °C(lit.)
Boiling point
72 · 72-77 °C/13 mmHg (lit.)
Density
1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.501(lit.)
Flash point
121 °F · 121 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (92.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzoyl chloride, 2,6-difluoro-

Status: Active Update: 11-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24003

Benzoyl chloride, 2,6-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (92.2%)

Safety data

F
21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
rtecs
LV1763000
ridadr
UN 2920 8/PG 2
hs_code
29163990

Chemistry & industry

Applications · 2 items

UsesPreservative, bactericide, furoates for perfume and flavoring, fumigant, textile processing, chemical intermediate.

Uses2,6-Difluorobenzoyl chloride has been used in:the preparation of series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-onesregioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridineFriedel-Crafts acylation reaction of toluene, anisol, thioanisol, 4-phenoxyacetophenone and N,N-diacetyl-4-phenoxyaniline

Upstream & downstream products

Suppliers50 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]
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]

Related reactions

347 records
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Linked notes

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