4-Iodoanisole

HCID 69676

Basic information

CAS
696-62-8
Standard SMILES
COc1ccc(I)cc1
InChIKey
SYSZENVIJHPFNL-UHFFFAOYSA-N
Molecular formula
C7H7IO
Average molar mass
234.03 g/mol
Monoisotopic mass
233.95416284

Overview

(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) is a member of methoxybenzenes.

Names & identifiers

Preferred name
4-Iodoanisole
IUPAC
1-iodo-4-methoxybenzene
English name
4-Iodoanisole
Molecular formula
C7H7IO
Molecular weight
234.03

Names & synonyms

4-Iodoanisole696-62-81-Iodo-4-methoxybenzenep-IodoanisoleBenzene, 1-iodo-4-methoxy-IsoformNSC-60727ZN7Y5PP2KWDTXSID7061015RefChem:524236DTXCID8046533211-798-7
Show more names
p-iodoanisol4-IODOANISOL4-IODANISOLE4-lodoanisole1-iodo-4-methoxy-benzenCREM-α
4-Methoxyiodobenzenep-MethoxyiodobenzeneAnisole, p-iodo-4-Iodomethoxybenzenep-Iodophenyl methyl ether1-iodo-4-methoxy-BenzeneMFCD00001056Izoform

Database identifiers

CAS
696-62-8
PubChem CID
69676
DTXSID
DTXSID7061015
ChEBI
CHEBI:174192
UNII
ZN7Y5PP2KW
EC Number
211-798-7
Nikkaji
J93.739H

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionPale yellow powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
50 · 50-53 °C(lit.)
Boiling point
237 °C726 · 237 °C726 mm Hg(lit.)
Density
1.7904 · 1.7904 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in ethanol, ether, chloroform.

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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 1-iodo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
8
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29093090
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-iodo-4-methoxy-: ACTIVE
Applications · 2 items

Description4-Iodoanisole (chemical formula: C7H7IO) is an organic compound being soluble in ethanol, ether and chloroform. It has a wide range of medicals industrial applications. For example, it can be used as human and animal nutrition products, antiseptics, disinfectants, pharmaceutical intermediates, polarizing films for liquid crystal display (LCD) chemicals. Its iodine derivatives can also be used as organic building blocks and analytic reagents.

Uses4-Iodoanisole is used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents.

Preparation methods · 1 item

Preparation4-Iodoanisole is synthesized by the reaction of anisole with iodine chloride. Add anisole to glacial acetic acid, stir and slowly add iodine chloride. After the addition was completed, the temperature was refluxed for 3.5h. Cool, pour into ice water, and precipitate p-iodoanisole. After it was separated, the free iodine was washed with 5% sodium sulfite, then washed with water, distilled under reduced pressure, and the fractions with a boiling point of 140-160 °C (5.33 kPa) were collected and cooled to 0 °C for filtration. Wash with methanol and recrystallize to obtain the finished product.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) is a member of methoxybenzenes.

Related reactions

531 records

Compound notes

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