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478687

Sigma-Aldrich

4-Iodophenyl isocyanate

97%

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About This Item

Linear Formula:
IC6H4NCO
CAS Number:
15845-62-2
Molecular Weight:
245.02
MDL number:
MFCD00013875
UNSPSC Code:
12352100
PubChem Substance ID:
24871565
NACRES:
NA.22
Assay:
97%

Quality Level

200

Assay

97%

mp

44-48 °C (lit.)

functional group

iodo
isocyanate

storage temp.

2-8°C

SMILES string

Ic1ccc(cc1)N=C=O

InChI

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

InChI key

KVMKUTIUJGYHBA-UHFFFAOYSA-N

Application

4-Iodophenyl isocyanate may be used in the preparation of:
  • silicon-stereogenic silicon-bridged arylpyridinones
  • N-(4-iodophenyl)cholesteryl-3-carbamate
  • N-(4-iodophenyl)pregnenolone-3-carbamate

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

478687-BULK:
478687-VAR:
478687-5G:4548173994444
478687-1G:4548173994437

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Certificates of Analysis (COA)

Lot/Batch Number
MKCF3874
04820CJ
15209EO
09207MS
00903LU

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M Van Dort et al.
International journal of radiation applications and instrumentation. Part B, Nuclear medicine and biology, 16(6), 603-607 (1989-01-01)
A series of radioiodinated benzoate and carbamate esters of cholesterol and pregnenolone wherein the acyl moiety served as the carrier for radioiodine was synthesized and evaluated as potential imaging agents for the adrenal cortex. 2,6-Dimethyl-3-iodobenzoyl and N-(4-iodophenyl) carbamoyl groups were
Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones.
Shintani R, et al.
Chemical Science, 7, 1205-1211 (2016)
Franky Ka-Wah Hau et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 22(11), 3738-3749 (2016-02-03)
A series of mononuclear and dinuclear platinum(II) terpyridine complexes with amide-, sulfonamide-, and urea-containing ligands (1-9) has been successfully designed and synthesized, and their photophysical and anion-binding properties have been studied. The anion-binding properties of the complexes were studied by

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