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Reference substances

Reference substances

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General information

Inventory

EC number:
212-603-8
EC name:
Sodium 2-amino-4,6-dinitrophenoxide
CAS number:
831-52-7

No inventory information available

Reference substance information

IUPAC name:
sodium 2-amino-4,6-dinitrobenzen-1-olate
Synonyms
Names:
Phenol, 2-amino-4,6-dinitro-, monosodium salt
Identifier:
CAS number
831-52-7
Identifier:
IUPAC name
Sodium 2-amino-4,6-dinitrophenoxide
Identifier:
common name
Sodium picramate
Identifier:
other: InChl
InChI=1/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;/q;+1/p-1
Identifier:
other: SMILES notation
Nc1cc(cc(c1O[Na])N(=O)=O)N(=O)=O
Identifier:
other: SMILES notation
[Na+].Nc1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-]
sodium 2-amino-4,6-dinitrophenolate

CAS information

CAS number:
831-52-7

Molecular and structural information

Molecular formula:
C6H5N3O5.Na
Molecular weight:
221.104
SMILES notation:
C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[Na+]
InChl:
1S/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;/q;+1/p-1
Structural formula:
Chemical structure