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About This Item
Linear Formula:
O2NC6H4NCO
CAS Number:
Molecular Weight:
164.12
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
95%
form
solid
bp
135-137 °C/17 mmHg (lit.)
mp
40-41 °C (lit.)
functional group
isocyanate
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
Application
2-Nitrophenyl isocyanate was used in the synthesis of symmetrical bis-2-nitrophenylcarbodi-imide via dimerisation reaction.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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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