Trinitrotoluene

Overview

Trinitrotoluene
State	25°C, 100kPa
General Information
Explosive?	Yes
Primary Use	Military, Industrial and Mining Explosives
Known As
Full Name	2,4,6-Trinitrotoluene
Abbreviations	TNT
IUPAC Name	2-Methyl-1,3,5-trinitrobenzene
Other Names	Trilite, Tolite, Trinol, Trotyl, Tritolo, Tritolol, Triton, Tritone, Trotol, Trinitrotoluol, 2,4,6-Trinitromethylbenzene
Identifiers
CAS Number	118-96-7
ChEMBL	ChEMBL1236245
ChemSpider	8073
DrugBank	DB01676
EC Number	204-289-6
Jmol 3D	Interactive Graph
KEGG	C16391
PubChem	11763
RTECS Number	XU0175000
SMILES	Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
UNII	H43RF5TRM5
UN Number	0209 - Dry or wetted with <30% water 0388, 0389 - mixtures with trinitrobenzene, hexanitrostilbene
Identifiers - InChl
InChl (1)	InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 Key: SPSSULHKWOKEEL-UHFFFAOYSA-N
InChl (2)	InChI=1/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChl (3)	InChI=1/C7H5N3O6/c1-4-2-3-5(8(11)12)7(10(15)16)6(4)9(13)14/h2-3H,1H3 Key: FPKOPBFLPLFWAD-UHFFFAOYAR
Properties
Chemical Formula	C7 H5 N3 O6
Molar Mass	227.13 g·mol−1
Appearance	Pale yellow solid. Loose "needles", flakes or prills before melt-casting. A solid block after being poured into a casing.
Density	1.654g/cm³
Melting Point	80.35 °C (353.5 K)
Boiling Point	240 °C (513.1 K)
Solubility in Water	0.13 g/L (20 °C)
Solubility in Ether, Acetone, Benzene, Pyridine	Soluble
Vapor Pressure	0.0002 mmHg (20 °C)
Explosive Data
Shock Sensitivity	Insensitive
Friction Sensitivity	Insensitive
Detonation Velocity	6900m/s
RE Factor	1.00
1kg Blast Energy	4184 J/g
Hazards
Safety Data Sheet	ICSC 0967
EU Classification (DSD)	E - Explosive        T - Toxic              N - Dangerous for the Environment
R-Phrases	R2, R23/24/25, R33, R51/53
S-Phrases	(S1/2), S35, S45, S61
Flash Point	167 °C (440 K)
Lethal Dose (Median)	Rat, Oral: 795mg/kg Mouse, Oral: 660mg/kg
Lethal Dose (Lowest)	Rabbit, Oral: 500mg/kg Cat, Oral: 1850mg/kg
US Health Exposure Limits (NIOSH) PEL	TWA 1.5mg/m³ (Skin)
US Health Exposure Limits (NIOSH) REL	TWA 0.5mg/m³ (Skin)
US Health Exposure Limits (NIOSH) IDLH	500mg/m³

Trinitrotoluene or TNT. C₇H₅N₃O₆