3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid | CAS No. 28395-03-1

Q: What is 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1)?

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) is a chemical compound with the formula C16H17NO5S. It is a benzoic acid derivative featuring a butylamino group, phenoxy substituent, and sulfamoyl functionality. The compound is typically solid at room temperature and exhibits moderate solubility in polar solvents. Its structure combines aromatic rings with amino and sulfonamide groups, making it relevant in pharmaceutical and research contexts.

Q: What are the main uses of 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1)?

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) is primarily used in pharmaceutical research as an intermediate for drug development, particularly in compounds targeting inflammation or microbial infections. It may also find applications in industrial chemistry for synthetic processes and as a research reagent for studying chemical reactivity and biological activity.

Q: Is 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) safe?

Safety of 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) depends on exposure conditions. Limited toxicity data exists, but it should be handled with appropriate PPE to avoid skin contact and inhalation. Adherence to OSHA and EPA guidelines is recommended. Its potential hazards require careful storage and use under controlled environments to ensure safety during handling and experimentation.

Q: How should 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) be stored?

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) should be stored in a cool, dry place (ideally 2-8°C), protected from light, and in airtight containers to prevent moisture absorption. Avoid exposure to heat and humidity to maintain stability. Proper storage conditions are essential to preserve its chemical integrity and ensure safe handling.

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid

Basic Information

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CAS Number

28395-03-1

Molecular Formula

C17H20N2O5S

Molecular Weight

364.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

230-239°C

Boiling Point

571.2°C at 760 mmHg

Water Solubility

Soluble in ethanol (10 mg/ml), DMSO (25 mg/ml), acetone, benzene, methanol, propylene glycol, and water (<1 mg/ml).

Flash Point

299.3±32.9 °C

Refractive Index

1.6510 (estimate)

SMILES

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CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)

InChIKey

MAEIEVLCKWDQJH-UHFFFAOYSA-N

LogP

3.0365

pKa

pK1 3.6, pK2 7.7(at 25℃)

Topological Polar Surface Area

118.72000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

528

Safety Information

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Hazard Statement

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

Toxicity

LD50 i.v. in mice: 330 mg/kg (Oestergaard)

Synonyms & References

English

Spectrum5_001212
Q275926
MLS001148265
Bio1_000421
Yurinex
SR-01000003062-2
CAS-28395-03-1
BUMETANIDE [JAN]
IDI1_033978
BPBio1_000168
BUMETANIDE [ORANGE BOOK]
82U
BSPBio_001508
NCGC00015149-03
Bumetanide (Ro 10-6338)
HMS3260B05
KBio3_000455
Segurex
Bumetanidum [INN-Latin]
DTXSID5022699
S-95008.
NCGC00015149-12
Pharmakon1600-01502004
BUMETANIDE [USP-RS]
SR-01000003062-4
BUMETANIDE [MART.]
NSC-758145
KBio2_002796
Bufenox
KBioGR_000439
NSC 758145

MDL Number

MFCD00078949

Customs Code

2935009090

FAQ

What is 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1)?

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) is a chemical compound with the formula C16H17NO5S. It is a benzoic acid derivative featuring a butylamino group, phenoxy substituent, and sulfamoyl functionality. The compound is typically solid at room temperature and exhibits moderate solubility in polar solvents. Its structure combines aromatic rings with amino and sulfonamide groups, making it relevant in pharmaceutical and research contexts.

What are the main uses of 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1)?

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) is primarily used in pharmaceutical research as an intermediate for drug development, particularly in compounds targeting inflammation or microbial infections. It may also find applications in industrial chemistry for synthetic processes and as a research reagent for studying chemical reactivity and biological activity.

Is 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) safe?

Safety of 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) depends on exposure conditions. Limited toxicity data exists, but it should be handled with appropriate PPE to avoid skin contact and inhalation. Adherence to OSHA and EPA guidelines is recommended. Its potential hazards require careful storage and use under controlled environments to ensure safety during handling and experimentation.

How should 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) be stored?

3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (CAS: 28395-03-1) should be stored in a cool, dry place (ideally 2-8°C), protected from light, and in airtight containers to prevent moisture absorption. Avoid exposure to heat and humidity to maintain stability. Proper storage conditions are essential to preserve its chemical integrity and ensure safe handling.