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2,5-Dinitrobenzoic acid

2,5-Dinitrobenzoic acid structure

CAS No:
610-28-6
Formula:
C7H4N2O6
Chemical Name:
2,5-Dinitrobenzoic acid
Synonyms:
Benzoic acid,2,5-dinitro-;2,5-Dinitrobenzoic acid;NSC 3810
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,5-Dinitrobenzoic acid Basic Attributes

Molecular Weight：

212.11600

Exact Mass：

212.12

EC Number：

210-216-9

NSC Number：

3810

DSSTox ID：

DTXSID3060582

HScode：

2916399090

Characteristics

PSA：

128.94000

XLogP3：

2.24760

Density：

1.688±0.06 g/cm3(Predicted)

Melting Point：

178-182 °C

Boiling Point：

419.6ºC at 760 mmHg

Flash Point：

190.5ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

DG9140550

Marks：

Xi:Irritant;

Toxicity

Mobility：

199.53 L/kg

Drug Information

MeSH Entry Terms：

2,5-dinitrobenzoic acid

2,5-Dinitrobenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 2,5-dinitro-: INACTIVE

Computed Properties

Molecular Weight:212.12
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:212.00693585
Monoisotopic Mass:212.00693585
Topological Polar Surface Area:129
Heavy Atom Count:15
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes