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4-Nitrophthalic acid

4-Nitrophthalic acid structure

CAS No:
610-27-5
Formula:
C8H5NO6
Chemical Name:
4-Nitrophthalic acid
Synonyms:
1,2-Benzenedicarboxylic acid,4-nitro-;Phthalic acid,4-nitro-;4-Nitro-1,2-benzenedicarboxylic acid;4-Nitrophthalic acid;5-Nitrophthalic acid;4-Nitrobenzene-1,2-dicarboxylic acid;NSC 5395;5-Nitro-1,2-benzenedicarboxylic acid
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

Light-Beige Solid

4-Nitrophthalic acid Basic Attributes

Molecular Weight：

211.13

Exact Mass：

211.13

BRN：

1882262

EC Number：

210-215-3

NSC Number：

5395

DSSTox ID：

DTXSID8060581

HScode：

29173980

Characteristics

PSA：

120

XLogP3：

0.9

Appearance：

Yellow to beige Crystalline Powder

Density：

1.7±0.1 g/cm3

Melting Point：

192 °C

Boiling Point：

350.79°C (rough estimate)

Flash Point：

207.6±15.8 °C

Refractive Index：

1.660

Water Solubility：

880 g/l at 20 °C

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitrophthalic acid Use and Manufacturing

Methods of Manufacturing

Add 4-nitrophthalimide to sodium hydroxide solution, heat to boiling, add concentrated nitric acid to make the solution acidic to litmus, boil the solution for 3 minutes, cool to below room temperature, and extract with ether. After the sodium water sulfide is dried, the ether is evaporated to obtain 4-nitrophthalic acid with a yield of 96%-99%.

Uses

For organic synthesis

Manufacturing Info：

1,2-Benzenedicarboxylic acid, 4-nitro-: ACTIVE

Computed Properties

Molecular Weight:211.13
XLogP3:0.9
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

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