1-Bromo-4-fluoro-2-iodobenzene

HCID 2773370

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Basic information

CAS: 202865-72-3
Standard SMILES: Fc1ccc(Br)c(I)c1
InChIKey: QDCBSSUCEUMLGC-UHFFFAOYSA-N
Molecular formula: C6H3BrFI
Average molar mass: 300.89 g/mol
Monoisotopic mass: 299.84468842

Names & identifiers

Preferred name: 1-Bromo-4-fluoro-2-iodobenzene
IUPAC: 1-bromo-4-fluoro-2-iodobenzene
English name: 1-Bromo-4-fluoro-2-iodobenzene
Molecular formula: C6H3BrFI
Molecular weight: 300.89

Names & synonyms

1-bromo-4-fluoro-2-iodobenzene202865-72-3DTXSID70942423RefChem:430642DTXCID201370826623-193-92-bromo-5-fluoroiodobenzene4-fluoro-2-iodobromobenzeneBenzene, 1-bromo-4-fluoro-2-iodo-2-iodo-4-fluorobromobenzene1-bromo-4-fluoro-2-iodo-benzeneMFCD00042578

Show more names

1-Bromo-4-fluoro-2-iodobenzen2-Bromo-5-fluoro-1-iodobenzene2-Bromo-5-fluoroiodobenzene 97%1-Bromo-4-fluoro-2-iodobenzene97%

SCHEMBL184417SY020717B4506EN300-316930FT-06075021-bromo-4-fluoro-2-iod3-Iodo-4-BromofluorobenzeneSCHEMBL31120258

Database identifiers

CAS: 202865-72-3
PubChem CID: 2773370
DTXSID: DTXSID70942423
EC Number: 623-193-9
Nikkaji: J1.826.775F

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Boiling point: 235 °C · 235 °C(lit.)
Density: 2.3 g/mL · 2.3 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.628(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 2.3 · 2.3
Sensitive: Light Sensitive
CAS DataBase Reference: 202865 · 202865-72-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P321-P332+P313-P337+P313-P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P321-P332+P313-P337+P313-P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-Bromo-4-fluoro-2-iodobenzene is a polysubstituted benzene derivative used as a starting material for the synthesis of γ-secretase inhibitor (ELND007). It can also be used as a chemical reaction reagent or pharmaceutical intermediate component.