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132-31-0

Basic Information
CAS No.: 132-31-0
Name: INDOPHENOL BLUE
Molecular Structure:
Molecular Structure of 132-31-0 (INDOPHENOL BLUE)
Formula: C18H16N2O
Molecular Weight: 276.338
Synonyms: N-(p-Dimethylaminophenyl)-1,4-naphthoquinoneimine;
EINECS: 205-056-1
Density: 1.11 g/cm3
Melting Point: 168-170 °C(lit.)
Boiling Point: 427.7 °C at 760 mmHg
Flash Point: 212.5 °C
Appearance: black powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 32.67000
LogP: 3.62590
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Specification

The 1(4H)-Naphthalenone,4-[[4-(dimethylamino)phenyl]imino]-, with the CAS registry number of 132-31-0, is also known as N-(p-Dimethylaminophenyl)-1,4-naphthoquinoneimine. It belongs to the product categories of G-H-I; Stains and Dyes. Its EINECS registry number is 205-056-1. Its molecular formula is C18H16N2O and molecular weight is 276.33. What's more, its IUPAC name is 4-[4-(Dimethylamino)phenyl]iminonaphthalen-1-one.

Physical properties about the 1(4H)-Naphthalenone,4-[[4-(dimethylamino)phenyl]imino]- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 281.91; (6)ACD/BCF (pH 7.4): 284.12; (7)ACD/KOC (pH 5.5): 1969.82; (8)ACD/KOC (pH 7.4): 1985.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 85.34 cm3; (15)Molar Volume: 247.8 cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 212.5 °C; (19)Enthalpy of Vaporization: 68.27 kJ/mol; (20)Boiling Point: 427.7 °C at 760 mmHg; (21)Vapour Pressure: 1.61E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\3c1ccccc1/C(=N/c2ccc(N(C)C)cc2)/C=C/3
(2) InChI: InChI=1/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3/b19-17+
(3) InChIKey: VRZJGENLTNRAIG-HTXNQAPBBF