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241563

Sigma-Aldrich

4-Bromophenyl isocyanate

99%

Synonym(s):

1-Bromo-4-isocyanatobenzene, p-Bromocarbanil, p-Bromophenyl isocyanate

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About This Item

Linear Formula:
BrC6H4NCO
CAS Number:
2493-02-9
Molecular Weight:
198.02
EC Number:
219-662-9
MDL number:
MFCD00002022
UNSPSC Code:
12352100
PubChem Substance ID:
24854490
NACRES:
NA.22

Quality Level

100

Assay

99%

bp

158 °C/14 mmHg (lit.)

mp

42-44 °C (lit.)

solubility

diethyl ether: very slightly soluble

SMILES string

Brc1ccc(cc1)N=C=O

InChI

1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChI key

CZQIJQFTRGDODI-UHFFFAOYSA-N

Application

4-Bromophenyl isocyanate was used in the synthesis of mixed bisamide derivative and monoamide product.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - 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)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Jiang Lu et al.
Chemical communications (Cambridge, England), (38)(38), 4848-4850 (2005-09-30)
Multiply-substituted iminocyclopentadienes were formed from Lewis acid-promoted reactions of zirconacyclopentadienes and isocyanates via a one-pot three-component coupling process; the C=O double bond of the RN=C=O moiety in the isocyanate was cleaved, and the isocyanates behaved formally as a one-carbon unit

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