N,N-dimethyl-2,4,6-trinitroaniline
Basic information
- CAS
2493-31-4- Standard SMILES
CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CHAGGWKJBGUBBJ-UHFFFAOYSA-N- Molecular formula
- C8H8N4O6
- Average molar mass
- 256.17 g/mol
- Monoisotopic mass
- 256.04438399
Names & identifiers
- Preferred name
- N,N-dimethyl-2,4,6-trinitroaniline
- IUPAC
- N,N-dimethyl-2,4,6-trinitroaniline
- English name
- N,N-dimethyl-2,4,6-trinitroaniline
- Molecular formula
- C8H8N4O6
- Molecular weight
- 256.17232
Names & synonyms
N,N-Dimethyl-2,4,6-trinitroaniline2493-31-4EINECS 219-663-4DTXSID20179641RefChem:161231DTXCID80102132219-663-4aniline, N,N-dimethyl-2,4,6-trinitro-F7BJ62FFP7SCHEMBL20240381CHAGGWKJBGUBBJ-UHFFFAOYSA-NN,N-Dimethyl-2,4,6-trinitrobenzenamine
Show more names
N,N-dimethyl-trinitroaniline
Benzenamine, N,N-dimethyl-2,4,6-trinitro-NS00027769
Database identifiers
- CAS
2493-31-4- PubChem CID
- 75610
- DTXSID
DTXSID20179641- UNII
- F7BJ62FFP7
- EC Number
- 219-663-4
- Nikkaji
- J191.984I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Symbol(GHS)
- 3 · GHS03,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H331-H301-H272-H311
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P210-P220-P221P280-P370+P378-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesOx. Liq. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS03,GHS05,GHS06
- Hazard statements
- H314-H331-H301-H272-H311
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P210-P220-P221P280-P370+P378-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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