CAS 2265-91-0 1,3-Difluoro-5-iodobenzene (HCID 2778221)

Names & identifiers

Preferred name: 1,3-Difluoro-5-iodobenzene
IUPAC: 1,3-difluoro-5-iodobenzene
English name: 1,3-Difluoro-5-iodobenzene
Molecular formula: C6H3F2I
Molecular weight: 239.99

Names & synonyms

1,3-difluoro-5-iodobenzene2265-91-0DTXSID40380818RefChem:72665DTXCID20331843607-122-93,5-Difluoroiodobenzenebenzene, 1,3-difluoro-5-iodo-1,3-difluoro-5-iodo-benzene3,5-difluoro iodobenzeneMFCD030941553,5-difluoro-iodobenzene

Show more names

3-Difluoro-5-iodobenzene3,5-Difluoroiodobenzene98%3,5-Difluoroiodobenzene 98%BENZENE,1,3-DIFLUORO-5-IODO1,3-Difluoro-5-iodobenzene >

SCHEMBL3691623,5-Difluoroiodobenzene, 97%AKOS009158286AC-28613D4620benzene, 1,3-difluoro-5-iodo3,5-DIFLUORO-1-IODOBENZENEAM61430

Database identifiers

CAS: 2265-91-0
PubChem CID: 2778221
DTXSID: DTXSID40380818
EC Number: 607-122-9
Nikkaji: J149.699I

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: 87.1

Experimental & physicochemical properties

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 173 · 173-174 °C(lit.)
Density: 2.004 · 2.004
refractive index: 20 · n20/D 1.5540(lit.)
Flash point: 180 °F · 180 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
Sensitive: Light Sensitive
BRN: 2041185 · 2041185
InChI: 1S/C6H3F2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: QQCFOQNFPIAENW-UHFFFAOYSA-N
SMILES: Fc1cc(F)cc(I)c1
CAS DataBase Reference: 2265 · 2265-91-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37
RIDADR: 1993 · 1993
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H315 (88.9%): 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (88.9%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
ridadr: 1993
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319-H335
Precautionary statements: P210e-P261-P280a-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Uses3,5-Difluoroiodobenzene is an asymmetric top molecule. 3,5-Difluoroiodobenzene reacts with magnesium turnings in the presence of a minimum amount of ether to afford the corresponding Grignard reagent. This reagent is employed in the synthesis of tris(3,5-difluorophenyl)methanol.

General Description3,5-Difluoroiodobenzene is an asymmetric top molecule. 3,5-Difluoroiodobenzene reacts with magnesium turnings in the presence of a minimum amount of ether to afford the corresponding Grignard reagent. This reagent is employed in the synthesis of tris(3,5-difluorophenyl)methanol.