Basic information
- CAS
6659-60-5- Standard SMILES
O=[N+]([O-])OCCC(CO[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
RDLIBIDNLZPAQD-UHFFFAOYSA-N- Molecular formula
- C4H7N3O9
- Average molar mass
- 241.11 g/mol
- Monoisotopic mass
- 241.01822881
Names & identifiers
- Preferred name
- 1,2,4-Butanetriol, 1,2,4-trinitrate
- IUPAC
- 1,4-dinitrooxybutan-2-yl nitrate
- English name
- 1,2,4-BUTANETRIOL TRINITRATE
- Molecular formula
- C4H7N3O9
- Molecular weight
- 241.11
Names & synonyms
6659-60-51,2,4-Butanetriol, trinitrate1,2,4-Butanetriol, 1,2,4-trinitrateButane-1,2,4-triyl nitrateEINECS 229-697-1DTXSID90863924RefChem:71516DTXCID10812494RDLIBIDNLZPAQD-UHFFFAOYSA-N1,2,4-Butanetriol trinitrateBTTNButane-1,2,4-triyl trinitrate
Show more names
1,2,4-tris-Nitrooxy-butane1,2,4-Butanetriyltrinitrate1,2,4-tris-Nitryloxy-butane1,2,4-ButenetrioltrinitrateButane-1,2,4-triol trinitrate1,2,4-Butanetriol trinitrate solution
1,4-dinitrooxybutan-2-yl nitrateZV2U79W7V4UNII-ZV2U79W7V41,2,4-Butanetriol trinitrate [Forbidden]1,2,4-BUTANETRIYL NITRATE1,2,4-BUTANETRIOLTRINITRATESCHEMBL961470NS00045967
Database identifiers
- CAS
6659-60-5- PubChem CID
- 522216
- DTXSID
DTXSID90863924- UNII
- ZV2U79W7V4
- EC Number
- 229-697-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 383.87 °C · 383.87°C (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- -20 °C · -20°C
- FDA UNII
- 2 U79W7V4 · ZV2U79W7V4
- EPA Substance Registry System
- 1 · 1,2,4-Butanetriol trinitrate (6659-60-5)
- Symbol(GHS)
- 1 · GHS01,GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H200-H411-H300-H330-H373
- Precautionary statements
- 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P201-P202-P281-P372-P373-P380-P401-P501-P260-P314-P501
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22-36
- Safety Statements
- 16 · 16-36/37
- RIDADR
- 473 · 0473
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H200 (66.7%): (Deleted) Unstable Explosive [Danger Explosives]
P201, P202, P260, P262, P264, P270, P271, P273, P280, P281, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P372, P373, P380, P391, P401, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
DOT Hazard Classification
1,2,4-Butanetriol trinitrate
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Hazard Classes and CategoriesUnst. Expl. (66.7%)
Safety data
- tsca
- TSCA listed
- ridadr
- 0473
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS01,GHS08,GHS09,GHS06
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- hazard_class
- 1.1A
- Hazard statements
- H310-H200-H411-H300-H330-H373
- Precautionary statements
- P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P201-P202-P281-P372-P373-P380-P401-P501-P260-P314-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,4-Butanetriol, 1,2,4-trinitrate: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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