3-(1-Piperidinylsulfonyl)benzoic acid

Basic Information

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CAS Number

7311-93-5

Molecular Formula

C12H15NO4S

Molecular Weight

269.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

179-181

Boiling Point

477.6°C at 760 mmHg

SMILES

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C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)

InChIKey

QRFCJPBEPZZXEE-UHFFFAOYSA-N

LogP

1.5594000000000001

Topological Polar Surface Area

74.67999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

395

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

QRFCJPBEPZZXEE-UHFFFAOYSA-N
3-(Piperidinosulfonyl)benzenecarboxylic acid
A866141
DTXSID90354281
EN300-00277
FT-0681141
CS-0155255
SR-01000399033-1
HMS1580G10
3-(Piperidin-1-ylsulphonyl)benzoic acid
D71196
Oprea1_803406
F2169-0637
3-(Piperidine-1-sulfonyl)-benzoic acid
AB00080329-01
3-(Piperidin-1-ylsulfonyl)benzoic acid
Z53033932
7311-93-5
SY081477
EU-0001412
3-(1-piperidinylsulfonyl)benzoic acid
SB43147
AG-205/06468016
3-piperidin-1-ylsulfonylbenzoic acid
3-(Piperidine-1-sulfonyl)benzoic acid
MFCD00760901
KA-0725
BB 0237871
AKOS000114632
Benzoic acid,3-(1-piperidinylsulfonyl)-
3-(Piperidin-1-ylsulfonyl)benzoicacid

MDL Number

MFCD00760901

Customs Code

2935009090

FAQ

What is 3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5)?

3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5) is a chemical compound with a unique structure that includes a benzene ring and a piperidine sulfone group. It is a white to off-white solid with a melting point around 191°C. This compound is used in various applications, including pharmaceuticals and research.

What are the main uses of 3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5)?

3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5) is primarily used in the pharmaceutical industry as a precursor for drug development. It also finds applications in research for its structural properties and as a component in certain chemical syntheses.

Is 3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5) safe?

3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5) is generally considered safe when handled properly. However, it should be used with caution and appropriate protective measures, such as gloves and goggles, to prevent skin and eye contact. Immediate medical attention should be sought if exposure occurs.

How should 3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5) be stored?

3-(1-Piperidinylsulfonyl)benzoic acid (CAS: 7311-93-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It must be kept in a tightly sealed container to prevent moisture and light exposure. Store at room temperature (15°C to 25°C) unless otherwise specified.