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4-Iodoanisole

4-Iodoanisole structure

CAS No:
696-62-8
Formula:
C7H7IO
Chemical Name:
4-Iodoanisole
Synonyms:
Benzene,1-iodo-4-methoxy-;Anisole,p-iodo-;Anisole,4-iodo-;1-Iodo-4-methoxybenzene;p-Methoxyiodobenzene;p-Iodoanisole;4-Iodoanisole;4-Iodomethoxybenzene;p-Iodophenyl methyl ether;p-Methoxyphenyl iodide;p-Iodomethoxybenzene;4-Methoxyphenyl iodide;4-Methoxyiodobenzene;4-Methoxy-1-iodobenzene;4-Iodophenyl methyl ether;NSC 60727;1-Methoxy-4-iodobenzene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

off-white to brown crystalline powder and chunks

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

4-Iodoanisole Basic Attributes

Molecular Weight：

234.03

Exact Mass：

234.03

BRN：

1906692

EC Number：

211-798-7

NSC Number：

60727

DSSTox ID：

DTXSID7061015

HScode：

29093090

Characteristics

PSA：

9.2

XLogP3：

2.9

Appearance：

Off-white to brown Crystalline Powder and Chunks

Density：

1.7±0.1 g/cm3

Melting Point：

53 °C

Boiling Point：

238 °C

Flash Point：

>230 °F

Refractive Index：

1.592

Water Solubility：

soluble in ethanol, ether, chloroform.

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Xi,Xn

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions. Light sensitive.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-iodoanisole

4-Iodoanisole Use and Manufacturing

Methods of Manufacturing

From anisole and iodine chloride reaction. Add anisole to glacial acetic acid, stir and slowly add chloroiodine. After adding, the temperature is raised to reflux for 3.5h. Cool and pour into ice water to precipitate p-iodoanisole. After separation, it was washed with 5% sodium sulfite to remove free iodine, then washed with water, and distilled under reduced pressure. The fraction with a boiling point of 140-160°C (5.33kPa) was collected, cooled to 0°C and filtered. Wash with methanol and recrystallize to get the finished product.

Uses

Intermediates of Liquid Crystals

Manufacturing Info：

Benzene, 1-iodo-4-methoxy-: ACTIVE

Computed Properties

Molecular Weight:234.03
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:233.95416
Monoisotopic Mass:233.95416
Topological Polar Surface Area:9.2
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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