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Methyl 4-iodobenzoate

Methyl 4-iodobenzoate structure

CAS No:
619-44-3
Formula:
C8H7IO2
Chemical Name:
Methyl 4-iodobenzoate
Synonyms:
Benzoic acid,4-iodo-,methyl ester;Benzoic acid,p-iodo-,methyl ester;Methyl 4-iodobenzoate;Methyl p-iodobenzoate;4-(Carbomethoxy)iodobenzene;4-Iodobenzoic acid methyl ester;4-(Methoxycarbonyl)phenyl iodide;p-Iodobenzoic acid methyl ester;p-(Methoxycarbonyl)phenyl iodide;NSC 9393;4-(Methoxycarbonyl)iodobenzene;4-(Methoxycarbonyl)-1-iodobenzene
Categories:
Pharmaceutical Intermediates > Antifungals

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Description

beige to pale pink crystalline powder

Methyl 4-iodobenzoate Basic Attributes

Molecular Weight：

262.04

Exact Mass：

262.04

EC Number：

210-597-1

NSC Number：

9393

DSSTox ID：

DTXSID2060703

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

Appearance：

White crystal

Density：

1.8±0.1 g/cm3

Melting Point：

114.8 °C

Boiling Point：

276.1°C at 760 mmHg

Flash Point：

120.8±22.6 °C

Refractive Index：

1.597

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Transport codes：

UN 3082

wgk germany：

hazard class code：

R51/53

safety instructions：

S37/39-S26-S61

Marks：

N:Dangerousfortheenvironment;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (91.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 12 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 4-iodobenzoate Use and Manufacturing

Uses

suzuki reaction

Manufacturing Info：

Benzoic acid, 4-iodo-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:262.04
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:261.94908
Monoisotopic Mass:261.94908
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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