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2653-72-7

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Basic Information
CAS No.: 2653-72-7
Name: Solvent Brown 5
Article Data: 7
Molecular Structure:
Molecular Structure of 2653-72-7 (Solvent Brown 5)
Formula: C20H14N2O
Molecular Weight: 298.344
Synonyms: 1-Naphthalenol,4-(1-naphthalenylazo)- (9CI);C.I. Solvent Brown 5 (7CI,8CI);Sudan Brown(6CI);4-(1-Naphthylazo)-1-naphthol;C.I. 12020;Fast Oil Brown S;Fat Brownreddish;Grasal Dark Brown N;Grasan Dark Brown MC;Oil Brown;Oil Brown D;OilBrown G;Oil Brown NN;Oil Brown R;Oil Brown S;Oleal Brown 3B;Oleosol BrownB;Resinol Brown 2B;Silotras Brown TBB;Solvent Brown 5;Sudan Brown BB;
EINECS: 220-178-5
Density: 1.207 g/cm3
Boiling Point: 494.976 °C at 760 mmHg
Flash Point: 253.153 °C
PSA: 44.95000
LogP: 6.11400
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Specification

The cas register number of Solvent Brown 5 is 2653-72-7. It also can be called as 4-(1-Naphthylazo)-1-naphthol and the IUPAC Name about this chemical is (4E)-4-(naphthalen-1-ylhydrazinylidene)naphthalen-1-one.

Physical properties about Solvent Brown 5 are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 1762; (5)ACD/BCF (pH 7.4): 1761; (6)ACD/KOC (pH 5.5): 7328; (7)ACD/KOC (pH 7.4): 7327; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 41.46Å2; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 91.483 cm3; (14)Molar Volume: 247.168 cm3; (15)Polarizability: 36.267x10-24cm3; (16)Surface Tension: 48.585 dyne/cm; (17)Enthalpy of Vaporization: 76.243 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4c1ccccc1/C(=N/Nc3c2ccccc2ccc3)/C=C/4
(2)InChI: InChI=1/C20H14N2O/c23-20-13-12-19(16-9-3-4-10-17(16)20)22-21-18-11-5-7-14-6-1-2-8-15(14)18/h1-13,21H/b22-19+
(3)InChIKey: FRGPOHQNWWFKRH-ZBJSNUHEBJ
(4)Std. InChI: InChI=1S/C20H14N2O/c23-20-13-12-19(16-9-3-4-10-17(16)20)22-21-18-11-5-7-14-6-1-2-8-15(14)18/h1-13,21H/b22-19+
(5)Std. InChIKey: FRGPOHQNWWFKRH-ZBJSNUHESA-N