Isobutyl 3,5-diamino-4-chlorobenzoate

Basic Information

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CAS Number

32961-44-7

Molecular Formula

C11H15ClN2O2

Molecular Weight

242.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

86-90 ºC

Refractive Index

1.59

SMILES

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CC(C)COC(=O)C1=CC(=C(C(=C1)N)Cl)N

InChI

InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3

InChIKey

KHUIRIRTZCOEMK-UHFFFAOYSA-N

LogP

2.3172000000000006

Topological Polar Surface Area

78.34 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

236

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD00272560
AMY19337
ISOBUTYL-3,5-DIAMINO-4-CHLOROBENZOATE
W-106800
DTXSID8067735
2-methylpropyl 3,5-diamino-4-chlorobenzoate
Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
Isobutyl 4-chloro-3,5-diaminobenzoate
EINECS 251-311-5
AC-31728
NS00021124
FT-0639070
AKOS003273097
H10815
4-chloro-3,5-diaminobenzoic acid isobutyl ester
SR-01000389386-1
32961-44-7
SR-01000389386
CS-W012761
Isobutyl 3,5-diamino-4-chlorobenzoate
isobutyl 3,5-diamino-4-chloro benzoate
AS-10933
SCHEMBL559800
Oprea1_570944
butyl 3,5-diamino-4-chloro benzoate
3,5-diamino-4-chlorobenzoic acid isobutyl ester
4-Chloro-3,5-DiaminobenzoicAcidIsobutylEster
Benzoic acid,3,5-diamino-4-chloro-,2-methylpropyl ester
Isobutyl 3,5-diamino-4-chloro benzoate
4-Chloro-3,5-diaminobenzoic acid isobutyl ester

MDL Number

MFCD00272560

Customs Code

2922499990

FAQ

What regulatory guidelines apply to Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7)?

Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7) falls under various regulatory guidelines including GHS classification for hazardous substances, REACH regulations for placing chemicals on the European market, and FDA/EPA requirements for safety and environmental protection. Businesses handling this compound must adhere to local and international regulations to ensure compliance.

Are there alternatives to Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7) in synthesis?

In synthesis, alternatives to Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7) include other aromatic compounds with similar functional groups. Common substitutes include 2,4-diamino-5-chlorobenzoic acid and its isomers. Chemists should consider these alternatives based on specific reaction conditions and desired outcomes.

What is the market or research trend for Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7)?

The market for Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7) has shown steady growth due to its applications in pharmaceuticals and agrochemicals. Research trends are focusing on developing new synthetic routes and exploring its potential in antimicrobial and antiviral applications. Price trends indicate stability with occasional fluctuations based on supply chain dynamics.

How should waste containing Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7) be handled?

Waste containing Isobutyl 3,5-diamino-4-chlorobenzoate (CAS: 32961-44-7) should be collected in appropriate containers and stored separately to prevent contamination. Incineration or professional waste disposal services are recommended for disposal. Environmental protection precautions include proper labeling, minimizing exposure, and following local environmental regulations to ensure safe disposal.