Epoxy curing agent Knowledge 4-phenoxyaniline

4-phenoxyaniline

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4-phenoxyaniline structural formula

Structural formula

Business number 03SE
Molecular formula C12H11NO
Molecular weight 185.23
label

4-Aminophenyl phenyl ether,

aromatic compounds

Numbering system

CAS number:139-59-3

MDL number:MFCD00007862

EINECS number:205-367-2

RTECS number:BY7930000

BRN number:777708

PubChem number:24898209

Physical property data

None

Toxicological data

Skin/Eye irritation data


Rabbit skin contact : 500mg/24H Mild reaction.


Rabbit Eye Contact :100mg/24HModerate reaction


Mutation data :


BacteriaSalmonella typhimurium: 25ug/plate


RodentMouse liverDNAsynthesis: 10umol/L

Ecological data

None

Molecular structure data


Molecular property data:


1, Molar refractive index56.93


2, Molar volumem3/mol):162.3


3, Isotonic specific volume90.2K):424.2


4, Surface tension3.0 dyne/cm SPAN>): 46.6


5, Polarizability 0.5 10-24cm3): 22.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 35.2

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 158

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Organic reagents, pharmaceutical intermediates

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5, Polarizability 0.5 10-24cm3): 22.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 35.2

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 158

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Organic reagents, pharmaceutical intermediates

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