8-Anilino-8-oxooctanoic acid

Basic Information

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CAS Number

149648-52-2

Molecular Formula

C14H19NO3

Molecular Weight

249.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

123°C

SMILES

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C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C14H19NO3/c16-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(17)18/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)(H,17,18)

InChIKey

PAXDAFSGJPGLGR-UHFFFAOYSA-N

LogP

3.050300000000001

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

260

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CG-0046
Suberanilic Acid
DTXSID00429494
UNII-5O3JZ9EX86
7-Phenylcarbamoyl-heptanoic acid
8-oxo-8-(phenylamino)octanoicacid
7-PHENYLCARBAMOYLHEPTANOIC ACID
8-anilino-8-oxooctanoic acid
AKOS015910814
MFCD07777004
7-(phenylcarbamoyl)heptanoic acid
Suberanilsaure
SuberanilicAcid-d5
SCHEMBL312344
8-Anilino-8-oxobutanoic acid
A808936
L-001301732
CHEMBL3797785
J-008604
FT-0674677
149648-52-2
PAXDAFSGJPGLGR-UHFFFAOYSA-N
8-oxo-8-(phenylamino)octanoic acid
5O3JZ9EX86
CS-0172723
Octanoic acid, 8-oxo-8-(phenylamino)-
7-Phenylcarbamoylheptanoic acid
8-Oxo-8-(phenylamino)octanoic acid
8-Oxo-8-(phenylamino)
7-PHENYLCARBAMOYL-HEPTANOIC ACID

MDL Number

MFCD07777004

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2)?

8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2) is a crystalline solid with a molecular weight of approximately 218.21 g/mol. It is slightly soluble in water and more soluble in organic solvents. The acid is moderately reactive, particularly towards bases, and can undergo esterification and amidation reactions. It has a melting point of around 205-207°C.

How is 8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2) typically synthesized?

8-Anilino-8-oxooctanoic acid is typically synthesized by the condensation of anilino-8-oxooctanoic acid chloride with ammonia. The reaction is conducted under anhydrous conditions using a catalyst such as anhydrous aluminum chloride. The yield is around 80-85%, and the product is purified by recrystallization.

What industries use 8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2)?

8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2) is used in various industries. It serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of antiviral and antifungal drugs. It is also utilized in the production of sensors for detecting nitrogen oxides and in the manufacturing of certain polymers and semiconductors.

What precautions should be taken when handling 8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2)?

When handling 8-Anilino-8-oxooctanoic acid (CAS: 149648-52-2), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a well-ventilated area and use a fume hood during operations. In case of a spill, immediately evacuate the area and follow the emergency procedures outlined in the safety data sheet (SDS).