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CAS No.: | 5029-46-9 |
---|---|
Name: | 4,4,4-trinitrobutanoic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C4H5N3O8 |
Molecular Weight: | 223.099 |
Density: | 1.748g/cm3 |
Boiling Point: | 347.4°Cat760mmHg |
Flash Point: | 156.4°C |
Hazard Symbols: | A poison by inhalation. Moderately toxic by ingestion. |
Safety: | A poison by inhalation and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx. |
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Molecular Structure of 4,4,4-Trinitrobutyric acid (CAS NO. 5029-46-9):
IUPAC Name: 4,4,4-trinitrobutanoic acid
Empirical Formula: C4H5N3O8
Molecular Weight: 223.0978
H bond acceptors: 11
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 163.76 Å2
Index of Refraction: 1.542
Molar Refractivity: 40.17 cm3
Molar Volume: 127.5 cm3
Surface Tension: 81.9 dyne/cm
Density: 1.748 g/cm3
Flash Point: 156.4 °C
Enthalpy of Vaporization: 65.01 kJ/mol
Boiling Point: 347.4 °C at 760 mmHg
Vapour Pressure: 9.48E-06 mmHg at 25°C
Index of Refraction: 1.542
1. | orl-rat LD50:708 mg/kg | STGNBT Spravochnik po Toksikologii i Gigienicheskim Normativam (PDK) Potentsialno Opasnykh Khimicheskikh Veshchestv Kushneva, V.S., andR.B. Gorshkova, eds.Moscow, Russia.: Izdat1999,134. | ||
2. | ihl-rat LC :>30 mg/m3 | STGNBT Spravochnik po Toksikologii i Gigienicheskim Normativam (PDK) Potentsialno Opasnykh Khimicheskikh Veshchestv Kushneva, V.S., andR.B. Gorshkova, eds.Moscow, Russia.: Izdat1999,134. | ||
3. | orl-mus LD50:728 mg/kg | STGNBT Spravochnik po Toksikologii i Gigienicheskim Normativam (PDK) Potentsialno Opasnykh Khimicheskikh Veshchestv Kushneva, V.S., andR.B. Gorshkova, eds.Moscow, Russia.: Izdat1999,134. | ||
4. | ihl-mus LC :>30 mg/m3 | STGNBT Spravochnik po Toksikologii i Gigienicheskim Normativam (PDK) Potentsialno Opasnykh Khimicheskikh Veshchestv Kushneva, V.S., andR.B. Gorshkova, eds.Moscow, Russia.: Izdat1999,134. | ||
5. | ipr-mus LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
A poison by inhalation and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
4,4,4-Trinitrobutyric acid , its CAS number is 5029-46-9, it can be called gamma,gamma,gamma-Trinitrobutyric acid ; Butyric acid, 4,4,4-trinitro- ;Butyric acid, 4,4,4-trinitro- (8CI) ; 5029-46-9 [RN] ; 4,4,4-Trinitrobutyric acid ; butanoic acid, 4,4,4-trinitro- ; 4,4,4-Trinitrobutanoic acid .