CAS 2265-93-2 2,4-Difluoro-1-iodobenzene (HCID 137519)

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Basic information

CAS: 2265-93-2
Standard SMILES: Fc1ccc(I)c(F)c1
InChIKey: YKLDMAPEGQYZRT-UHFFFAOYSA-N
Molecular formula: C6H3F2I
Average molar mass: 239.99 g/mol
Monoisotopic mass: 239.92475

Names & identifiers

Preferred name: 2,4-Difluoro-1-iodobenzene
IUPAC: 2,4-difluoro-1-iodobenzene
English name: 2,4-Difluoroiodobenzene
Molecular formula: C6H3F2I
Molecular weight: 239.99

Names & synonyms

2,4-Difluoro-1-iodobenzeneRefChem:443520629-507-02,4-Difluoroiodobenzene2265-93-21,3-Difluoro-4-iodobenzeneMFCD00040151Benzene, 2,4-difluoro-1-iodo-2,4-difluoro iodobenzene2,4-difluoro-1-iodo-benzene2,4-difluoro-iodobenzeneDTXSID70177192

Show more names

2,4-Difluoro-1-iodobenze2,4-Difluoroiodobenzene98%2,4-Difluoroiodobenzene 98%2,4-Difluoro-1-iodobenzene>2,4-Difluoroiodobenzene, 97+%2,4-Difluoroiodobenzene, 99+%

NSC 68264AKOS005254541CS-W010293AC-7207GS-6052MB00398SY005121D2545

Database identifiers

CAS: 2265-93-2
PubChem CID: 137519
DTXSID: DTXSID70177192
EC Number: 629-507-0
Nikkaji: J1.280.264A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97

Physicochemical properties

Boiling point: 175 · 175-176 °C (lit.)
Density: 2.006 g/mL · 2.006 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.557(lit.)
Flash point: 154 °F · 154 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Yellow to Green
Specific Gravity: 2.006 · 2.006
Water Solubility: INSOLUBLE
Sensitive: Light Sensitive
BRN: 2081078 · 2081078
CAS DataBase Reference: 2265 · 2265-93-2(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1,3-Difluoro-4-iodobenzene(2265-93-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Safety data

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-37/39
hazard_class: IRRITANT
Hazard statements: H227-H315-H319-H335
Precautionary statements: P261-P305+P351+P338-P210e-P280a-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

Chemistry & industry

Applications · 2 items

Uses2,4-Difluoroiodobenzene may be used in the preparation of:1,2,4-tris(1H-pyrazolyl)benzene, by reaction with pyrazole catalyzed by Cu2O, salicylaldoxime and Cs2CO3 in acetonitrile3-(2,4-difluorophenyl)-2-propyn-1-olN-(2-((2,4-difluorophenyl)thio)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methanesulfonamide.

General DescriptionArylation reactions of 2,4-difluoroiodobenzene with NH-heterocycles [specifically, pyrazole, 3-(trifluoromethyl)pyrazole, imidazole and pyrrole] has been reported.