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3-Isopropoxyaniline

3-Isopropoxyaniline

CAS Number: 41406-00-2

Molecular Formula: C9H13NO

IrritantIrritant

About 3-Isopropoxyaniline

3-Isopropoxyaniline (CAS No: 41406-00-2), commercially referred to as 3-IPA or m-isopropoxyaniline, is undergoing a significant transition from a conventional speciality chemical to a vital, high-performance agrochemical and pharmaceutical intermediate across the global crop protection, life science, and speciality dye...

Synonyms

  • C9H13NO
  • 3-isopropoxybenzeneamine
  • AC1Q1QND
  • (3-isopropoxyphenyl)amine
  • ACMC-209jk9
View all

3-Isopropoxyaniline Specifications

CAS Number
41406-00-2
Molecular Formula
C9H13NO
Molecular Weight
151.21 g/mol
IUPAC Name
3-propan-2-yloxyaniline
Canonical SMILES
CC(C)OC1=CC=CC(=C1)N
InChI Key
QMGBIPKOKCSUCL-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3
DSSTox Substance ID
DTXSID30341458
EINECS Number
628-701-2
MDL Number
MFCD00052700
Molecular Weight
151.21 g/mol
XLogP3
1.7
Rotatable Bond Count
2
Monoisotopic Mass
151.099714038 Da
Boiling Point (Experimental)
244-245°C
Density (Predicted)
1.014±0.06 g/cm3 Temp: 25°C; Press: 760 Torr
pKa (Predicted)
4.539±0.10 Most Basic Temp: 25°C
GHS Hazard Statements
H315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (97.6%): May cause respiratory irritation
Hazard Classes and Categories
Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (97.6%)

Iprovalicarb Fungicide Precursor

A essential aromatic amine precursor used by agrochemical producers to synthesise Iprovalicarb, a major commercial valinamide carbamate fungicide applied globally to control oomycete plant pathogens

Pharmaceutical API Intermediate

A versatile aniline derivative to introduce the meta-isopropoxyphenyl group during the multi-step synthesis of kinase inhibitors and therapeutic candidates

Speciality Dye & Colour Developer Precursor

A performance chemical pipeline utilisation to synthesise functional azo dyes, colour-forming thermal paper developers, and speciality ink pigments requiring an electron-rich aromatic nucleus

Custom Agrochemical & Fine Chemical Synthesis

A core building block for preparing specialised crop protection active ingredients, insect growth regulators, and functional organic intermediates

  1. C9H13NO
  2. 3-isopropoxybenzeneamine
  3. AC1Q1QND
  4. (3-isopropoxyphenyl)amine
  5. ACMC-209jk9

3-Isopropoxyaniline FAQs

Minimum Order Quantity

25 kg (pilot) · 1 MT (commercial)

Lead Time

3 – 5 weeks ex-works

Incoterms

FOB · CIF

Packaging

20 L pails, 200 L HDPE drums, 1000 L IBC

Regional Availability

India · EU · Middle East · Southeast Asia

Documentation

SDS · COA · TDS available on request

Compliance & Quality

REACH registered*

GHS/SDS available

ISO 9001:2015 site*

RoHS compliant*

Global sourcing network

Consistent quality & reliability

End-to-end technical support

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