4-Iodo-1,2-dimethoxybenzene

HCID 230307

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Basic information

CAS: 5460-32-2
Standard SMILES: COc1ccc(I)cc1OC
InChIKey: PUCISUQLWLKKJH-UHFFFAOYSA-N
Molecular formula: C8H9IO2
Average molar mass: 264.06 g/mol
Monoisotopic mass: 263.96472753

Names & identifiers

Preferred name: 4-Iodo-1,2-dimethoxybenzene
IUPAC: 4-iodo-1,2-dimethoxybenzene
English name: 3,4-Dimethoxyiodobenzene
Molecular formula: C8H9IO2
Molecular weight: 264.06

Names & synonyms

4-Iodo-1,2-dimethoxybenzeneDTXSID10282219RefChem:524116DTXCID20233373674-585-15460-32-23,4-DimethoxyiodobenzeneMFCD000944164-Iodo-1,2-dimethoxy-benzene4-iodoveratrol3,4-dimethoxyphenyl iodideBenzene, 4-iodo-1,2-dimethoxy-

Show more names

4-Iodoveratrole3,4-dimethoxy-1-Iodobenzene1-Iodo-3,4-dimethoxybenzene

NSC250121,2-dimethoxy-4-iodobenzene4-Iodo-1,2-dimethoxybenzene #NSC 25012NSC-25012STL420395AKOS015917619AC-20921

Database identifiers

CAS: 5460-32-2
PubChem CID: 230307
DTXSID: DTXSID10282219
EC Number: 674-585-1
Nikkaji: J436.246B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 35 °C · 35°C
Boiling point: 163 · 163-164 °C(Press: 26 Torr)
Density: 1.6933 · 1.6933 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
Appearance: 34 °C · Off-white to yellow 34°C Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 29093090 · 29093090

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 3 reports by companies from 3 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

hs_code: 29093090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313