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3,5-Dicarboxyaniline

3,5-Dicarboxyaniline structure

CAS No:
99-31-0
Formula:
C8H7NO4
Chemical Name:
3,5-Dicarboxyaniline
Synonyms:
1,3-Benzenedicarboxylic acid,5-amino-;Isophthalic acid,5-amino-;5-Amino-1,3-benzenedicarboxylic acid;5-Aminoisophthalic acid;3,5-Dicarboxyaniline;5-Aminoisophthalate;NSC 60141;Aniline-3,5-dicarboxylic acid;3-Aminoisophthalic acid;5-Amino-m-phthalic acid
Categories:
Inorganic Chemistry > Elementary Substance

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Description

Light beige-brown crystalline powder

3,5-Dicarboxyaniline Basic Attributes

Molecular Weight：

181.15

Exact Mass：

181.15

BRN：

2805628

EC Number：

202-748-5

NSC Number：

60141

DSSTox ID：

DTXSID7059193

HScode：

29224995

Characteristics

PSA：

101

XLogP3：

0.3

Appearance：

White to cream Granular Powder

Density：

1.6±0.1 g/cm3

Melting Point：

360 °C

Boiling Point：

514.9ºC at 760 mmHg

Flash Point：

265.2±28.7 °C

Refractive Index：

1.684

Water Solubility：

H2O: INsoluble

Storage Conditions：

Store below +30°C.

Toxicity：

LD50 orally in Rabbit: 1600 mg/kg

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

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (32.2%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 59 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-aminoisophthalic acid

3,5-Dicarboxyaniline Use and Manufacturing

Methods of Manufacturing

In a 3 L four-necked flask equipped with a mechanical stirrer, a thermometer was charged 211.1 g (1.0 mol, 1.0 eq) of 5-nitroIsophthalic acid, 160.0 g (4.0 mol, 4.0 eq) of sodium hydroxide in 2 L of water, and the mixture was stirred for 1 hour to clarify the system. Then add 10g of Raney nickel, slowly raise the temperature between 30 ~ 35 , and then drop into the 80percent hydrazine hydrate 125.0g (2.0mol, 2.0eq), 30 minutes drop finished, continue stirring for 30 minutes to end the reaction. The pH of the filtrate was adjusted to 3.5 to 4.0 with acetic acid, and a large amount of white solid was precipitated by filtration and dried to obtain 172.0 g of 5-aminoisophthalic acid in a yield of 95percent and purity of 99.7percent ).

Uses

Used as an intermediate in organic synthesis

Manufacturing Info：

1,3-Benzenedicarboxylic acid, 5-amino-: ACTIVE

Computed Properties

Molecular Weight:181.15
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:101
Heavy Atom Count:13
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 99-31-0

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Guide of 3,5-Dicarboxyaniline

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3,5-Dicarboxyaniline

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