1-Iodo-4-isocyanatobenzene

Basic Information

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CAS Number

15845-62-2

Molecular Formula

C7H4INO

Molecular Weight

245.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

44-48 °C

Boiling Point

84°C 5mm

Density

1.79

Refractive Index

1.636

SMILES

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C1=CC(=CC=C1N=C=O)I

InChI

InChI=1S/C7H4INO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

KVMKUTIUJGYHBA-UHFFFAOYSA-N

LogP

2.2584999999999997

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture & Light Sensitive

Synonyms & References

English

Benzene,1-iodo-4-isocyanato-
p-iodophenylisocyanate
4-Iodophenyl isocyanate, 97%
1-iodo-4-isocyanatobenzene
MFCD00013875
4-iodophenylisocyanate
1-iodo-4-isocyanato-benzene
SCHEMBL93320
4-Iodophenyl isocyanate
AKOS005207128
DTXSID60392135
KVMKUTIUJGYHBA-UHFFFAOYSA-N
FT-0618793
J-009501
EN300-148306
AS-59984
F87146
Benzene, 1-iodo-4-isocyanato-
GEO-03883
15845-62-2
4-iodophenyl isocyanate
4-Iodoisocyanatobenzene
para-iodophenyl isocyanate
4-Iodophenyl isocyanate 97%
4-IODOPHENYL ISOCYANATE

MDL Number

MFCD00013875

Customs Code

2929109000

FAQ

What is 1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2)?

1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2) is an organic compound with the molecular formula C₉H₆INO. It is a derivative of benzene with an isocyanate group and an iodine atom attached to the 4th carbon atom.

What are the main uses of 1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2)?

1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2) is primarily used in organic synthesis as a reagent. It can be utilized in the production of various polymers and pharmaceuticals. Additionally, it serves as a starting material for the synthesis of other isocyanates and related compounds.

Is 1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2) safe?

1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2) is not considered safe for unprotected exposure. It is highly reactive and toxic. Proper safety measures, including personal protective equipment (PPE) and proper ventilation, must be followed to prevent inhalation and skin contact.

How should 1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2) be stored?

1-Iodo-4-isocyanatobenzene (CAS: 15845-62-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Storage should be in a well-ventilated area, and access should be restricted to authorized personnel only.