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241563

4-Bromophenyl isocyanate

Name: 4-Bromophenyl isocyanate
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24854490

UNSPSC Code:

12352100

EC Number:

219-662-9

MDL number:

MFCD00002022

Assay:

99%

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Properties

Quality Level

100

assay

99%

bp

158 °C/14 mmHg (lit.)

mp

42-44 °C (lit.)

solubility

diethyl ether: very slightly soluble

functional group

bromo, isocyanate

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

Description

Application

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

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H312 + H332,H315,H317,H319,H334,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 + P312 - P305 + P351 + P338

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Lewis acid-promoted reactions of zirconacyclopentadienes with isocyanates. A one-pot three-component synthesis of multiply-substituted iminocyclopentadienes from one isocyanate and two alkynes.

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

Global Trade Item Number

SKU	GTIN
241563-50G	04061832106519
241563-10G	04061832106502