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N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine structure
N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine structure

N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine

Iupac Name:N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
CAS No.:231278-20-9
Molecular Weight:505.71
Introduction: Lapatinib intermediate N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amineSupplier View more+
1. Names and Identifiers
1.1 Name
N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine
1.2 Synonyms

(6-iodo-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-quinazolin-4-yl)amine [3-chloro-4-(3-fluorobenzyloxy)phenyl]-(6-iodoquinazolin-4-yl)amine [3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl](6-iodoquinazol 4-[3-Chloro-4-(3-fluorobenzyloxy)anilino]-6-iodoquinazoline 4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazolin 4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo- 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline Lapatinib Impurity 25 Lapatinib Intermediate 2 N-(3-Chloro-4-((3-fluorobenzyl) N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-iodoquinazolin-4-aMine N-[3-Chloro-4-(3-fluorobenzyloxy) phenyl]-6-iodoquinazolin-5-amine N-[3-Chloro-4-(3-fluorobenzyloxy)-phenyl]-6-iodoquinazolin-4-amine N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodo-quinazolin-4yl-amine N-[3-chloro-4-(3-fluorobenzyloxy)phenylJ-6-iodoquinazolin-4-amine N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methanesulphonyl) ethyl]amino}methyl)-2-furyl]-4-quinazolin amine ditosylate N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodo-4-quinazolinamine N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine N-{3-Chloro-4-[(3-fluorophenyl)-methoxy]-phenyl}-6-iodo-4-quinazolinamine N-{3-chloro-4-[(3-fluorophenyl)Methoxy]phenyl}-6-iodoquinazolin-4-aMine

1.3 CAS No.
231278-20-9
1.4 CID
10174519
1.5 EINECS(EC#)
607-200-2
1.6 Molecular Formula
C21H14ClFIN3O (isomer)
1.7 Inchi
InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
1.8 InChkey
UHFPFDMMKYQMLC-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl
1.10 Isomers Smiles
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl
2. Properties
3.1 Density
1.691
3.1 Melting point
222-224 oC
3.1 Boiling point
581.326 oC at 760 mmHg
3.1 Refractive index
1.724
3.1 Flash Point
305.375 oC
3.1 Vapour pressure
0mmHg at 25°C
3.1 Precise Quality
504.98500
3.1 PSA
47.04000
3.1 logP
6.42250
3.1 Appearance
yellow solid
3.2 Chemical Properties
Yellow Solid
3.3 Color/Form
Powder
3.4 pKa
5.04±0.50(Predicted)
3.5 Water Solubility
Slightly soluble in water.
3.6 StorageTemp
Keep in dark place,Inert atmosphere,Room temperature
3. Use and Manufacturing
4.1 Storage
Light Sensitive. Ambient temperatures.
4.2 Usage
Lapatinib intermediate N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amineSupplier
4. Safety and Handling
5.1 Hazard Codes
Xi
5.1 Risk Statements
S26-S36/37/39
5.1 Safety Statements
R36/37/38:Irritating to eyes, respiratory system and skin .
5.1 Specification

  N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine (CAS NO.231278-20-9), its Synonyms are N-[3-Chloro-4-(3-fluorobenzyloxy)-phenyl]-6-iodoquinazolin-4-amine ; N-{3-Chloro-4-[(3-fluorophenyl)-methoxy]-phenyl}-6-iodo-4-quinazolinamine ; 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline ; N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodo-4-quinazolinamine . It is yellow solid.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

9. Other Information
9.0 Chemical Properties
Yellow Solid
9.1 Uses
Lapatinib intermediate
9.2 Usage
4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline is used as an organic chemical synthesis intermediate.
10. Computational chemical data
  • Molecular Weight:505.71g/mol
  • Molecular Formula:C21H14ClFIN3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:6.3
  • Exact Mass:504.98542
  • Monoisotopic Mass:504.98542
  • Complexity:504
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:47
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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