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269409

Sigma-Aldrich

2-Nitrophenyl isocyanate

95%

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

Quality Level

100

Assay

95%

form

solid

bp

135-137 °C/17 mmHg (lit.)

mp

40-41 °C (lit.)

storage temp.

2-8°C

SMILES string

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

InChI

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

InChI key

JRVZITODZAQRQM-UHFFFAOYSA-N

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

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

WGK

WGK 3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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