2-Amino-5-Nitrobenzonitrile
[CAS# 17327-33-2]

Identification

• Name: 2-Amino-5-Nitrobenzonitrile
• Synonyms: 2-amino-5-nitrobenzenecarbonitrile; 2-Amino-5-nitro-benzonitrile; 2-cyano-3-(2-hydroxyphenyl)acrylamide
• Molecular Formula: C₇H₅N₃O₂
• Molecular Weight: 163.13
• CAS Registry Number: 17327-33-2
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
• InChI: 1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
• InChIKey: MGCGMYPNXAFGFA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 210°C (Expl.)
• Boiling point: 383.2±32.0°C at 760 mmHg (Cal.)
• Flash point: 185.6±25.1°C (Cal.)
• Refractive index: 1.627 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): C. Glidewell, J.N. Low, J.M.S. Skakle, J.L. Wardell. Hydrogen bonding in C-substituted nitroanilines: [pi]-stacked sheets of R\bf{_4^4}(20) and R\bf{_4^4}(28) rings in 2-cyano-4-nitroaniline, Acta Cryst C 2004 Volume 60 Part 1 Page o35-o37