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Merck
CN

269409

2-Nitrophenyl isocyanate

95%

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About This Item

Linear Formula:
O2NC6H4NCO
CAS Number:
3320-86-3
Molecular Weight:
164.12
NACRES:
NA.22
PubChem Substance ID:
24856325
UNSPSC Code:
12352100
EC Number:
222-024-2
MDL number:
MFCD00007092
Assay:
95%
Form:
solid

Key Documents

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InChI key

JRVZITODZAQRQM-UHFFFAOYSA-N

InChI

1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H

SMILES string

[O-][N+](=O)c1ccccc1N=C=O

assay

95%

form

solid

bp

135-137 °C/17 mmHg (lit.)

mp

40-41 °C (lit.)

functional group

isocyanate, nitro

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

2-Nitrophenyl isocyanate was used in the synthesis of symmetrical bis-2-nitrophenylcarbodi-imide via dimerisation reaction.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN8820
MKCR2295
MKCQ1652
MKCL5808
MKCJ6001

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Intramolecular reaction between nitro and carbodi-imide groups; a new synthesis of 2-arylbenzotriazoles.
Houghton PG, et al.
Journal of the Chemical Society. Perkin Transactions 1, 1471-1479 (1985)

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