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
HMX2691-41-0100 % similar
4-Nitromorpholine4164-32-352 % similar
Ethylene glycol dinitrate628-96-630 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.