4-Chloro-2-iodoanisole

HCID 2800978

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Basic information

CAS: 52807-27-9
Standard SMILES: COc1ccc(Cl)cc1I
InChIKey: CXXXAGIYCFOGHA-UHFFFAOYSA-N
Molecular formula: C7H6ClIO
Average molar mass: 268.48 g/mol
Monoisotopic mass: 267.91519

Names & identifiers

Preferred name: 4-Chloro-2-iodoanisole
IUPAC: 4-chloro-2-iodo-1-methoxybenzene
English name: 4-Chloro-2-iodoanisole
Molecular formula: C7H6ClIO
Molecular weight: 268.48

Names & synonyms

4-Chloro-2-iodoanisole52807-27-9DTXSID70384203RefChem:291515DTXCID40335227674-032-44-Chloro-2-iodo-1-methoxybenzeneMFCD000528585-chloro-2-methoxyiodobenzene2-Iodo-4-chloroanisole4-chloroiodoanisole4-chloro-2-iodo-1-methoxy-benzene

Show more names

Chloro-2-iodoanisole4-Chloro-2-iodoanisol2-iodin-4chloro- anisole4-Chloro-2-iodoanisole >5-CHLORO-2-METHOXYIODOBENZENEBenzene, 4-chloro-2-iodo-1-methoxy-

SCHEMBL6467232-methoxy-5-chlorophenyl iodideSCHEMBL298806134-chloro-2-iodo-1-methoxybenzenCXXXAGIYCFOGHA-UHFFFAOYSA-NCK1197AKOS005254542GS-3397

Database identifiers

CAS: 52807-27-9
PubChem CID: 2800978
DTXSID: DTXSID70384203
EC Number: 674-032-4
Nikkaji: J892.637I

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 48 °C · 48 °C
Boiling point: 133 · 133-135°C 15mm
Density: 1.84 · 1.84
Flash point: 133 · 133-135°C/15mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in methanol.
form: powder to lump to clear liquid
color: White or Colorless to Orange to Green
Specific Gravity: 1.84 · 1.84
Sensitive: Light Sensitive
CAS DataBase Reference: 52807 · 52807-27-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 29093090 · 29093090

Safety & regulation

Safety data

hs_code: 29093090
risk_code: 36/37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

UsesAn independent synthesis of 4-chloro-2-iodoanisole has shown that this is chlorinating agents, brominating agents and iodinating agents. 4-Chloro-2-iodoanisole (2) was demethylated and subsequently alkylated with 4-chloro-2-fluorobenzyl bromide, an aryl Grignard reagent was formed with it.