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489-98-5

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Basic Information
CAS No.: 489-98-5
Name: 2,4,6-TRINITROANILINE
Article Data: 85
Molecular Structure:
Molecular Structure of 489-98-5 (2,4,6-TRINITROANILINE)
Formula: C6H4 N4 O6
Molecular Weight: 228.121
Synonyms: Aniline,2,4,6-trinitro- (7CI,8CI); Picramide (6CI); 1-Amino-2,4,6-trinitrobenzene;2,4,6-Trinitroaniline; MATB; MATB (explosive); NSC 4860; TNA
Density: 1.792g/cm3
Melting Point: 193.5°C
Boiling Point: 433.2°Cat760mmHg
Flash Point: 215.8°C
Solubility: 19.87mg/L(25 oC)
Hazard Symbols: Dangerous, explodes by heat or shock.
Risk Codes: 49-8-23/24/25-34
Safety: An explosive. When heated to decomposition it emits toxic vapors of NOx.
PSA: 163.48000
LogP: 3.14420
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Chemistry

Product Name: Picramide (CAS NO.489-98-5)


Molecular Formula: C6H4N4O6
Molecular Weight: 228.11916g/mol
Mol File: 489-98-5.mol
Einecs: 207-703-3
Appearance: Yellow monoclinic crystals
Boiling point: 433.2 °C at 760 mmHg
Flash Point: 215.8 °C
Density: 1.792 g/cm3
Water Solubility: Insoluble in water
Surface Tension: 97.2 dyne/cm
Enthalpy of Vaporization: 68.91 kJ/mol
Vapour Pressure: 1.05E-07 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Picramide (CAS NO.489-98-5):
  IUPAC Name: 2,4,6-trinitroaniline
  Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]
  InChI: InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2 
  InChIKey: IAHOUQOWMXVMEH-UHFFFAOYSA-N

Uses

 Picramide (CAS NO.489-98-5) was used in warheads during World War II. It's most famous application was in the Yokosuka MXY-7 Ohka.

Safety Profile

An explosive. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  Explosive 1.1D; Label: Explosive 1.1D

Specification

 Picramide ,its CAS NO. is 489-98-5,the synonyms is 2,4,6-Trinitroaniline ; Aniline, 2,4,6-trinitro- (8CI) ; Benzenamine, 1,4,6-trinitro- ; Benzenamine, 2,4,6-trinitro- (9CI) ; Trinitroaniline or picramide [UN0153] [Explosive 1.1D] ; UN0153 .