Rdx
Properties
- Molecular formula
- C3H6N6O6
- Molar mass
- 222.12 g/mol
- Exact mass
- 222.0349 Da
- Density
- 1.82 g/mL (at 20 °C)
- Melting point
- 205–206 °C
- Boiling point
- 276–280 °C
- Water solubility
- 59.7 mg/L (25 °C)
- logP
- -1.65Crippen estimate
- Polar surface area
- 139.1 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 3
Hazards
Danger
- H201 (Deleted) Explosive; mass explosion hazard97.4% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled19% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin19.8% of notifiers
- H315 Causes skin irritation20.7% of notifiers
- H331 Toxic if inhaled19.8% of notifiers
- H370 Causes damage to organs56.9% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure33.6% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure44% of notifiers
Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P230, P240, P250, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P308+P316, P316, P319, P321, P330, P332+P317, P361+P364, P362+P364, P370+P380, P372, P373, P401, P403+P233, P405, P501
Identifiers
CAS number
121-82-4SMILES
O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1InChIKey
XTFIVUDBNACUBN-UHFFFAOYSA-NInChI
InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
57 names · show all
- 1,3,5-Triazine, hexahydro-1,3,5-trinitro-
- Cyclonite
- Cyclotrimethylenenitramine
- Cyclotrimethylenetrinitramine
- Hexahydro-1,3,5-trinitro-s-triazine
- Hexogen
- 1,3,5-Trinitro-1,3,5-triazacyclohexane
- Hexogen (explosive)
- Trimethylenetrinitramine
- Hexogen 5W
- 1,3,5-Trinitrohexahydro-s-triazine
- 1,3,5-Triaza-1,3,5-trinitrocyclohexane
- 1,3,5-Trinitroperhydro-1,3,5-triazine
- 1,3,5-Trinitrohexahydro-1,3,5-triazine
- PBX(AF) 108
- PBXW 108(E)
- PE 4
- CX 84A
- PE 4 (explosive)
- PBX-L 3
- PBX-L 5
- PBX-MC
- PBX-MVF
- PBXN 107A
- Hexahydro-1,3,5-trinitro-1,3,5-s-triazine
- V 29
- V 29 (Propellant)
- PBX-B 2238
- PBXN 108
- PBXN(AF) 108
- PBX-C 117
- CPX 301
- TS 1
- PHX 34
- PBX-W 108
- TS 1 (propellant)
- PBXN 6
- PBXN 107
- PBXN 201
- PBX 9407
- Composition A 3
- A 3
- A 3 (Explosive)
- PBXN 8
- PMW 8
- A-IX 1
- Giekfol
- Heksoflen
- NSC 312447
- A-IX 2
- PBXC 116
- CH 6
- CH 6 (explosive)
- Hexomax
- s-Triazine, hexahydro-1,3,5-trinitro-
- Hexahydro-1,3,5-trinitro-1,3,5-triazine
- T4
Work with Rdx
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds