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99-35-4

Basic Information
CAS No.: 99-35-4
Name: 1,3,5-TRINITROBENZENE
Article Data: 106
Molecular Structure:
Molecular Structure of 99-35-4 (1,3,5-TRINITROBENZENE)
Formula: C6H3 N3 O6
Molecular Weight: 213.106
Synonyms: 1,3,5-Trinitrobenzene;2,4,6-Trinitrobenzene; NSC 36931; TNB; TNB (nitro compound); Trinitrobenzene;s-Trinitrobenzene; sym-Trinitrobenzene
Density: 1.705g/cm3
Melting Point: 122°C
Boiling Point: 315°Cat760mmHg
Flash Point: 164.1°C
Solubility: 357.7mg/L(25 oC)
Hazard Symbols: Dangerous, explodes by heat or shock.
Risk Codes: 1-26/27/28-33-37/38-50/53-2-36/37/38-23/24/25-11-43-41-63-45
Safety: Poison by ingestion and intravenous routes. Mutation data reported. A severe explosion hazard when shocked or exposed to heat. Trinitrobenzene is considered a powerful high explosive and has more shattering power than TNT. Although it is less sensitive to impact than TNT, it is not used much because it is difficult to produce. The complex with potassium trimethyl stannate explodes at room temperature. Forms heat-sensitive explosive complexes with alkyl or aryl metallates (e.g., lithium or potassium salts of trimethyl-, triethyl-, or triphenyl-germanate, -silanate, or -stannate). Can react vigorously with reducing materials. When heated to decomposition it emits highly toxic fumes of NOx and explodes. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
PSA: 137.46000
LogP: 2.98080
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Chemistry

IUPAC Name: Benzene, 1,3,5-trinitro-
The MF of Benzene, 1,3,5-trinitro- (99-35-4) is C6H3N3O6.

                        
The MW of Benzene, 1,3,5-trinitro- (99-35-4) is 213.1.
Synonyms of Benzene, 1,3,5-trinitro- (99-35-4): 1,3,5-Trinitrobenzene ; Benzene, 1,3,5-trinitro- ; 2,4,6-trinitrobenzene ; sym-Trinitrobenzene 
Product Categories: Analytical Chemistry;Indicator(pH);Chemical Class;Environmental Standards;ExplosivesEPA;pH Indicators;AromaticsAnalytical Standards;TP-TZ;8000 Series Solidwaste Methods;Analytical Standards;AromaticsEnvironmental Standards
Form: A light yellow crystalline sludge or slurry
Index of Refraction: 1.655 
EINECS: 202-752-7
Density: 1.705 g/ml
Flash Point: 164.1 °C
Boiling Point: 315 °C
Melting Point: 122 °C
Storage temp: 2-8 °C
Merck: 9726

Uses

  Benzene, 1,3,5-trinitro- (99-35-4) is used as explosives.Explosive performance is similar to TNT and picric acid.

Production

Aromatic nitro compounds, such as TRINITROBENZENE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Toxicity Data With Reference

1.    

mmo-sat 10 µg/plate

    ENMUDM    Environmental Mutagenesis. 2 (1980),531.
2.    

mma-sat 10 µg/plate

    ENMUDM    Environmental Mutagenesis. 2 (1980),531.
3.    

orl-rat LD50:275 mg/kg

    JACTDZ    Journal of the American College of Toxicology. 1 (1992),169.
4.    

orl-mus LD50:572 mg/kg

    TNICS*    Toxicology of New Industrial Chemical Substances. 13 (1973),132.
5.    

ivn-mus LD50:32 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00192 .
6.    

orl-gpg LD50:730 mg/kg

    GISAAA    Gigiena i Sanitariya. 42 (10)(1977),12.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion and intravenous routes. Mutation data reported. A severe explosion hazard when shocked or exposed to heat. Trinitrobenzene is considered a powerful high explosive and has more shattering power than TNT. Although it is less sensitive to impact than TNT, it is not used much because it is difficult to produce. The complex with potassium trimethyl stannate explodes at room temperature. Forms heat-sensitive explosive complexes with alkyl or aryl metallates (e.g., lithium or potassium salts of trimethyl-, triethyl-, or triphenyl-germanate, -silanate, or -stannate). Can react vigorously with reducing materials. When heated to decomposition it emits highly toxic fumes of NOx and explodes. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.Safety information of Benzene, 1,3,5-trinitro- (99-35-4):
Hazard Codes  E,T+,T,N,F
Risk Statements 
1  Explosive when dry
26/27/28  Very Toxic by inhalation, in contact with skin and if swallowed
33  Danger of cumulative effects
50/53  Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
2  Risk of explosion by shock, friction, fire or other sources of ignition
23/24/25  Toxic by inhalation, in contact with skin and if swallowed
11  Highly Flammable
43  May cause sensitization by skin contact
41  Risk of serious damage to eyes
63  Possible risk of harm to the unborn child
45  May cause cancer
Safety Statements 
35  This material and its container must be disposed of in a safe way
45  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60  This material and/or its container must be disposed of as hazardous waste
61  Avoid release to the environment. Refer to special instructions safety data sheet
27  Take off immediately all contaminated clothing
16  Keep away from sources of ignition - No smoking
36/37  Wear suitable protective clothing and gloves
24/25  Avoid contact with skin and eyes
23  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
53  Avoid exposure - obtain special instruction before use
RIDADR  1354
RTECS  DC3850000
HazardClass  1.1D
PackingGroup  II

Standards and Recommendations

DOT Classification:  EXPLOSIVE 1.1D; Label: EXPLOSIVE 1.1D (UN 0214); DOT Class: 4.1; Label: Flammable Solid (UN 1354)