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3-Iodoanisole

3-Iodoanisole structure

CAS No:
766-85-8
Formula:
C7H7IO
Chemical Name:
3-Iodoanisole
Synonyms:
Benzene,1-iodo-3-methoxy-;Anisole,m-iodo-;1-Iodo-3-methoxybenzene;m-Methoxyiodobenzene;3-Iodoanisole;m-Iodoanisole;3-Methoxyphenyl iodide;3-Iodophenyl methyl ether;3-Methoxyiodobenzene;NSC 60726;3-Methoxy-1-iodobenzene;m-Methoxyphenyl iodide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow liquid

3-Iodoanisole Basic Attributes

Molecular Weight：

234.03

Exact Mass：

234.03

BRN：

1858896

EC Number：

212-173-1

NSC Number：

60726

DSSTox ID：

DTXSID6061105

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.95

Appearance：

Clear yellow Liquid

Density：

1.7±0.1 g/cm3

Melting Point：

94 °C

Boiling Point：

130-135 °C

Flash Point：

>230 °F

Refractive Index：

1.592

Water Solubility：

soluble in chloroform, alcohol, ether. Insoluble in water.

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36

safety instructions：

26-24/25

Marks：

Xn,Xi

Hazard note：

Light Sensitive

Stability/Shelf Life：

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

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Iodoanisole Use and Manufacturing

Manufacturing Info：

Benzene, 1-iodo-3-methoxy-: INACTIVE

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:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1250409-84-7

10365-98-7

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