4,6-Dinitropyrogallol
Basic information
- CAS
3264-71-9- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c(O)c1O- InChIKey
JJPIRJNQXIJGPL-UHFFFAOYSA-N- Molecular formula
- C6H4N2O7
- Average molar mass
- 216.11 g/mol
- Monoisotopic mass
- 216.00185047
Names & identifiers
- Preferred name
- 4,6-Dinitropyrogallol
- IUPAC
- 4,6-dinitrobenzene-1,2,3-triol
- English name
- 4,6-Dinitropyrogallol
- Molecular formula
- C6H4N2O7
- Molecular weight
- 216.11
Names & synonyms
4,6-Dinitropyrogallol4,6-dinitrobenzene-1,2,3-triol3264-71-9DTXSID60403977RefChem:508160DTXCID80354831620-983-5CHEMBL400737SCHEMBL1283748BDBM50234651AKOS015916705DB-048243
Show more names
4,6-dinitropyragallol1,2,3-Benzenetriol, 4,6-dinitro-
ST50997686InChI=1/C6H4N2O7/c9-4-2(7(12)13)1-3(8(14)15)5(10)6(4)11/h1,9-11
Database identifiers
- CAS
3264-71-9- PubChem CID
- 4529307
- DTXSID
DTXSID60403977- ChEMBL
CHEMBL400737- EC Number
- 620-983-5
- Nikkaji
- J802.018C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 209 · 209-211 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 26 · 26-27-28-36/37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- II
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 2811
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-27-28-36/37/39
- hazard_class
- 6.1(b)
- packing_group
- II
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Suppliers
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Related reactions
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Compound notes
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