2,3-Dinitrobenzoic acid

HCID 283327CAS 15147-64-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIKey
HCSBTDBGTNZOAB-UHFFFAOYSA-N
Molecular formula
C7H4N2O6
Average molar mass
212.12 g/mol
Monoisotopic mass
212.00693585

Names & identifiers

Preferred name
2,3-Dinitrobenzoic acid
IUPAC
2,3-dinitrobenzoic acid
English name
2,3-Dinitrobenzoic acid
Molecular formula
C7H4N2O6
Molecular weight
212.12

Names & synonyms

2,3-Dinitrobenzoic acid15147-64-5DTXSID50934265RefChem:1059492DTXCID40853158MFCD000242572,3-di-nitrobenzoic acidNSC137840SCHEMBL3671SCHEMBL7437947SCHEMBL10731956SCHEMBL10731966
Show more names
NSC 137840Benzoic acid, 2,3-dinitro-
SCHEMBL30893562HCSBTDBGTNZOAB-UHFFFAOYSA-NAKOS016003183NSC-137840DB-005840CS-0447191D23200

Database identifiers

CAS
15147-64-5
PubChem CID
283327
DTXSID
DTXSID50934265
Nikkaji
J135.760C

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
129 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Boiling point
440.2 · 440.2±35.0 °C(Predicted)
Density
1.688 · 1.688
pka
1 · pK1:1.85 (25°C)
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39

Safety & regulation

Safety data

risk_code
36/37/38
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers14 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
上海遐瑞医药科技有限公司+86 21 61551611

Related reactions

8 records
New reaction record

Linked notes

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