CAS 327-51-5 1,4-Dibromo-2,5-difluorobenzene (HCID 67596)

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Basic information

CAS: 327-51-5
Standard SMILES: Fc1cc(Br)c(F)cc1Br
InChIKey: GLVMLJCMUBZVTJ-UHFFFAOYSA-N
Molecular formula: C6H2Br2F2
Average molar mass: 271.88 g/mol
Monoisotopic mass: 269.8491307

Names & identifiers

Preferred name: 1,4-Dibromo-2,5-difluorobenzene
IUPAC: 1,4-dibromo-2,5-difluorobenzene
English name: 1,4-Dibromo-2,5-difluorobenzene
Molecular formula: C6H2Br2F2
Molecular weight: 271.88

Names & synonyms

1,4-Dibromo-2,5-difluorobenzene327-51-5Benzene, 1,4-dibromo-2,5-difluoro-VAY7VM7HFU2,5-dibromo-1,4-difluorobenzeneEINECS 206-317-2DTXSID701863652,5-difluoro-1,4-dibromobenzeneRefChem:416692DTXCID80108856206-317-21,4-dibromo-2,5-difluoro-benzene

Show more names

2,5-Difluoro-1,4-ph1,4-Dibromo-2,5-difl1,4-Dibrom-2,5-difluorbenzol1,4-Difluoro-2,5-dibromobenzene2,5-Difluoro-1,4-Dibromrobenzene2,5-DIFLUORO-1,4-DIBROMO BENZENE1,4-Dibromo-2,5-difluorobenzene98%1,4-Dibromo-2,5-difluorobenzene>

MFCD00000346Maybridge1_003946HMS552L08CCG-45049CS-W005505AC-23639BP-21231SR-01000634842-1

Database identifiers

CAS: 327-51-5
PubChem CID: 67596
DTXSID: DTXSID70186365
UNII: VAY7VM7HFU
EC Number: 206-317-2
Nikkaji: J150.070H

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 106

Physicochemical properties

Melting point: 60 · 60-62 °C (lit.)
Boiling point: 96 °C/20 · 96 °C/20 mmHg (lit.)
Density: 2.103 · 2.1030 (rough estimate)
refractive index: 1.5151 · 1.5151 (estimate)
Flash point: 96 °C/20mm · 96°C/20mm
storage temp.: Sealed in dry,Room Temperature
solubility: almost transparency in Methanol
form: powder to crystal
color: White to Almost white
Water Solubility: insoluble
BRN: 2250095 · 2250095
InChI: InChI=1S/C6H2Br2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChIKey: GLVMLJCMUBZVTJ-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=C(Br)C=C1F
CAS DataBase Reference: 327 · 327-51-5(CAS DataBase Reference)
FDA UNII

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1,4-Dibromo-2,5-difluorobenzene has been used in the preparation of:1,2,4,5-tetrakis(phosphino)-3,6-difluorobenzenespoly(2,5-difluoro-2′,5′-didodecyl-4,4′-biphenylylene

Uses1,4-Dibromo-2,5-difluorobenzene has been used in the preparation of 1,2,4,5-tetrakis(phosphino)-3,6-difluorobenzenes and poly(2,5-difluoro-2,5-didodecyl-4,4-biphenylylene.