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o-Dianisidine

Catalog Number
ACM119904-2
CAS Number
119-90-4
Product Name
o-Dianisidine
Structure
Category
Electroluminescence Materials; Monomers; Polymers
Description
3,3'-dimethoxybenzidine appears as colorless crystals or a light brown powder. Turns violet on standing. Carcinogen.;COLOURLESS CRYSTALS.;Colorless crystals that turn a violet color on standing.;Colorless crystals that turn a violet color on standing. [Note: Used as a basis for many dyes.]
IUPAC Name
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
Molecular Weight
244.29g/mol
Molecular Formula
C14H16N2O2;C14H16N2O2
Canonical SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
InChI
InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
InChI Key
JRBJSXQPQWSCCF-UHFFFAOYSA-N
Boiling Point
356.0 °C
Melting Point
279 to 280 °F (NTP, 1992);137.0 °C;137 °C;137.5 °C;279°F;279°F
Flash Point
403 °F (NTP, 1992);206 °C (403 °F) (closed cup);206 °C c.c.;403°F;403°F
Solubility
less than 0.1 mg/mL at 68° F (NTP, 1992);2.46e-04 M;Sol in alc, benzene, ether;Sol in chloroform, acetone;PROBABLY SOL IN MOST ORG SOLVENTS AND LIPIDS;In water, 60 mg/l @ 25 °C;Solubility in water, g/100ml at 25 °C: 0.006;Insoluble
Color/Form
LEAFLETS OR NEEDLES FROM WATER;Colorless crystals that turn a violet color on standing.
Complexity
236
Covalently-Bonded Unit Count
1
EC Number
204-355-4
Exact Mass
244.121178g/mol
Formal Charge
0
Heavy Atom Count
18
ICSC Number
1582
Log P
1.81 (LogP);log Kow = 1.81;1.81
MeSH Entry Terms
3,3' Dimethoxybenzidine;3,3'-Dimethoxybenzidine;Dianisidine;Dianisidine Dihydrochloride;Dianisidine Hydrochloride;Dianisidine Sulfate;Dihydrochloride, Dianisidine;Hydrochloride, Dianisidine;O Dianisidine;O-Dianisidine;Sulfate, Dianisidine
Monoisotopic Mass
244.121178g/mol
NSC Number
3168
Other Experimental
HAS GENERAL CHARACTERISTICS OF PRIMARY AROMATIC AMINES
Rotatable Bond Count
3
RTECS Number
DD0875000
UNII
MJY508JZXV
UN Number
2811;2431;3077
Vapor Density
8.5 (NTP, 1992) (Relative to Air);8.43 (air= 1);8.5
Vapor Pressure
negligible
XLogP3
2.2
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