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3,4-Dinitrobenzoic acid

3,4-Dinitrobenzoic acid structure

CAS No:
528-45-0
Formula:
C7H4N2O6
Chemical Name:
3,4-Dinitrobenzoic acid
Synonyms:
Benzoic acid,3,4-dinitro-;3,4-Dinitrobenzoic acid;NSC 60713
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

yellowish crystals or crystalline powder

3,4-Dinitrobenzoic acid Basic Attributes

Molecular Weight：

212.12

Exact Mass：

212.12

BRN：

2055333

EC Number：

208-433-9

UNII：

0L3N4T0GPD

NSC Number：

60713

DSSTox ID：

DTXSID1060180

HScode：

2916399090

Characteristics

PSA：

129

XLogP3：

1.98

Appearance：

light yellow solid；

Density：

1.7±0.1 g/cm3

Melting Point：

166 °C

Boiling Point：

459.0±35.0 °C at 760 mmHg

Flash Point：

208.4±14.4 °C

Refractive Index：

1.658

Water Solubility：

6.7g/L(25 ºC)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-26-37/39

RTECS Number：

DG9140650

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Toxicity

Mobility：

33.88 L/kg

3,4-Dinitrobenzoic acid Use and Manufacturing

Methods of Manufacturing

The reaction of 4-amino-3-nitrotoluene with potassium persulfate in the presence of sulfuric acid produces 3-nitro-4-nitrosotoluene. Then oxidation with potassium dichromate to obtain 3, 4-dinitrobenzoic acid. The process of preparing this product by this method is exactly the same as that of 2, 5-dinitrobenzoic acid, please refer to this entry.

Uses

Used as a quantitative analysis reagent for sugar, and also used in organic synthesis.

Manufacturing Info：

Benzoic acid, 3,4-dinitro-: INACTIVE

Computed Properties

Molecular Weight:212.12
XLogP3:1.1
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

Material

4-Nitrobenzoic acid

3-Nitrotoluene