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3-Nitrophthalic acid

3-Nitrophthalic acid structure

CAS No:
603-11-2
Formula:
C8H5NO6
Chemical Name:
3-Nitrophthalic acid
Synonyms:
1,2-Benzenedicarboxylic acid,3-nitro-;Phthalic acid,3-nitro-;3-Nitro-1,2-benzenedicarboxylic acid;3-Nitrophthalic acid;m-Nitrophthalic acid;o-Nitrophthalic acid;NSC 3120;46381-03-7
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

3-Nitrophthalic acid, which is scientifically denoted as C8H5NO6 , is a yellow crystalline compound characterized by the presence of two carboxylic acid functional groups and a nitro group that are attached to a benzene ring structure. This compound is synthesized through the process of nitration, where phthalic acid serves as the precursor. The resulting 3-Nitrophthalic acid exhibits a high degree of solubility in polar solvents, making it particularly useful in various chemical applications that require such properties.

3-Nitrophthalic acid Basic Attributes

Molecular Weight：

211.13

Exact Mass：

211.13

BRN：

2054269

EC Number：

210-030-8

NSC Number：

3120

DSSTox ID：

DTXSID9060528

HScode：

29173980

Characteristics

PSA：

120

XLogP3：

0.7

Appearance：

Off-white to light yellow Powder

Density：

1.7±0.1 g/cm3

Melting Point：

214 °C (decomp)

Boiling Point：

441.3°C at 760 mmHg

Flash Point：

199.4±15.8 °C

Refractive Index：

1.660

Water Solubility：

water: soluble 5%, clear to slightly hazy, colorless to faint yellow or tan

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-41

safety instructions：

26-36/39-37/39-36

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 213 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Bioconcentration：

5.25

Drug Information

Biological Half-Life：

0.03 Days

MeSH Entry Terms：

3-nitrophthalic acid

3-Nitrophthalic acid Use and Manufacturing

Methods of Manufacturing

Add phthalic anhydride to concentrated sulfuric acid, add steam under stirring and heat to 80°C, add fuming nitric acid dropwise, and maintain the reaction temperature at 100-110°C. After the addition, heat at 110°C for 2h, leave it overnight, pour into water and filter. The filter cake is recrystallized with water to obtain 3-nitrophthalic acid. The yield is about 30%.

Uses

3-Nitrophthalic acid is primarily used as an intermediate in the synthesis of dyes, pigments, and pharmaceuticals. It is also employed in the production of high-performance polymers and polyimides, which are valued for their heat resistance and mechanical strength. Additionally, it serves as a reagent in organic synthesis and research applications.

Manufacturing Info：

1,2-Benzenedicarboxylic acid, 3-nitro-: ACTIVE

Computed Properties

Molecular Weight:211.13
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:211.01168688
Monoisotopic Mass:211.01168688
Topological Polar Surface Area:120
Heavy Atom Count:15
Complexity:296
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sulfuric acid

Nitric acid

Phthalic anhydride

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