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3058-38-6

Basic Information
CAS No.: 3058-38-6
Name: 2,4,6-trinitrobenzene-1,3,5-triamine
Article Data: 33
Molecular Structure:
Molecular Structure of 3058-38-6 (2,4,6-trinitrobenzene-1,3,5-triamine)
Formula: C6H6 N6 O6
Molecular Weight: 258.15
Synonyms: 1,3,5-Triamino-2,4,6-trinitrobenzene;2,4,6-Trinitro-1,3,5-benzenetriamine; EDC 35; NSC 243156; TATB;s-Triaminotrinitrobenzene; sym-Triaminotrinitrobenzene
Density: 1.958g/cm3
Melting Point: 324 °C (decomp)
Boiling Point: 669.5°Cat760mmHg
Flash Point: 358.7°C
Hazard Symbols: Low toxicity by ingestion and inhalation. A mild eye irritant.
Safety: Low toxicity by ingestion and inhalation. A mild eye irritant. When heated to decomposition it emits toxic vapors of NOx.
PSA: 215.52000
LogP: 3.47100
Synthetic route
489-98-5

picramide

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With 4-amino-1,2,4-triazole; sodium methylate In methanol at 25 - 60℃; for 21.5h; Product distribution / selectivity;99.8%
Stage #1: picramide With 4-amino-1,2,4-triazole; sodium methylate In methanol; toluene at 25 - 60℃; for 16.5h;
Stage #2: With acetic acid In methanol; toluene Product distribution / selectivity;
98%
With 4-amino-1,2,4-triazole; sodium methylate In dimethyl sulfoxide at 20℃; for 3h;94.1%

C30H27N9O12

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With hydrogenchloride In water; dimethyl sulfoxide at 80℃; for 6h; pH=1;99.6%
68959-41-1

1,3,5-triethoxy-2,4,6-trinitrobenzene

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With ammonia In toluene at 90℃; under 3863.02 Torr; for 4h; Product distribution / selectivity;99.5%
With methanol; ammonia at -3 - 50℃; for 24h; Product distribution / selectivity; Sealed reactor; Industry scale;89.5%

C27H18Cl3N9O9

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 65℃; for 8h; pH=13.5;99.5%

C30H18F9N9O9

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 65℃; for 5h; pH=14;99.4%

C33H36N12O9

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 60℃; for 5h; pH=14;99.4%

C30H27N9O9

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 60℃; for 6h; pH=14;99.2%
2631-68-7

1,3,5-trichloro-2,4,6-trinitrobenzene

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With ammonia In toluene for 10h; Heating;99%
With ammonia90%
With ammonia In toluene for 24h; Reflux;87%
21985-87-5

2,3,4,5,6-pentanitroaniline 1,2-dichloroethane

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With ammonia In tetrachloromethane; toluene for 0.583333h;97%
With ammonia
584-13-4

4-amino-1,2,4-triazole

489-98-5

picramide

3058-38-6

2,4,6-triamino-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With sodium methylate In dimethyl sulfoxide at 20℃; for 3h;89.5%
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Chemistry

Empirical Formula of 1,3,5-Triamino-2,4,6-trinitrobenzene (CAS NO.3058-38-6): C6H6N6O6
Molecular Weight: 258.15 g/mol
EINECS: 221-297-5 
Index of Refraction: 1.844
Density: 1.958 g/cm3
Flash Point: 358.7 °C
Enthalpy of Vaporization: 98.39 kJ/mol
Boiling Point: 669.5 °C at 760 mmHg
Vapour Pressure: 8.67E-18 mmHg at 25 °C
Structure of 1,3,5-Triamino-2,4,6-trinitrobenzene (CAS NO.3058-38-6):
               
IUPAC Name of 1,3,5-Triamino-2,4,6-trinitrobenzene (CAS NO.3058-38-6): 2,4,6-Trinitrobenzene-1,3,5-triamine

Toxicity Data With Reference

1.    

eye-rbt 100 mg MLD

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0537049 .
2.    

orl-rat LD :>5 g/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0537049 .
3.    

ihl-rat LC :>212 mg/m3/1H

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0537049 .
4.    

orl-mus LD :>5 g/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) UCRL-13701 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and inhalation. A mild eye irritant. When heated to decomposition it emits toxic vapors of NOx.

Specification

 1,3,5-Triamino-2,4,6-trinitrobenzene ,its cas register number is 3058-38-6. It also can be called 1,3,5-Benzenetriamine, 2,4,6-trinitro- .