CAS No.1237-75-8,N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1237-75-8
Name:	N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide
Article Data:	2

Formula:	C₁₈H₁₄BrNO₃
Molecular Weight:	372.218
Synonyms:	2-Naphth-o-anisidide,7-bromo-3-hydroxy- (6CI,7CI,8CI);C.I. 37566;C.I. Azoic Coupling Component 45;NSC 367089;N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide;6-Bromo-2-hydroxy-N-o-hydroxyphenylnaphthalene-3-carboxamide;
EINECS:	248-048-3
Density:	1.544 g/cm³
Melting Point:	1387 °C
Boiling Point:	467.334 °C at 760 mmHg
Flash Point:	236.435 °C
Hazard Symbols:	Xn,Xi
Risk Codes:	R20/21/22; R36/37/38
PSA:	58.56000
LogP:	4.64180

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Specification

The CAS registry number of 2-Naphthalenecarboxamide,7-bromo-3-hydroxy-N-(2-methoxyphenyl)- is 1237-75-8. Its EINECS registry number is 214-980-4. The IUPAC name is 7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide. In addition, the molecular formula is C₁₈H₁₄BrNO₃. What's more, it is a intermediate of dyes and pigments. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.1; (5)ACD/BCF (pH 5.5): 4989.23; (6)ACD/BCF (pH 7.4): 4257.11; (7)ACD/KOC (pH 5.5): 15429.81; (8)ACD/KOC (pH 7.4): 13165.65; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 94.92 cm³; (15)Molar Volume: 241 cm³; (16)Polarizability: 37.62 ×10^-24cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.544 g/cm³; (19)Flash Point: 236.4 °C; (20)Enthalpy of Vaporization: 75.72 kJ/mol; (21)Boiling Point: 467.3 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-09 mmHg at 25°C.

Uses of 2-Naphthalenecarboxamide,7-bromo-3-hydroxy-N-(2-methoxyphenyl)-: it can react with bromoacetic acid methyl ester to get [6-bromo-3-(2-methoxy-phenylcarbamoyl)-naphthalen-2-yloxy]-acetic acid methyl ester. This reaction will need reagent K₂CO₃ and solvent dimethylformamide. The reaction time is 5 hours at reaction temperature of 60-70 °C. The yield is about 88%.

2-Naphthalenecarboxamide,7-bromo-3-hydroxy-N-(2-methoxyphenyl)- can react with bromoacetic acid methyl ester to get [6-bromo-3-(2-methoxy-phenylcarbamoyl)-naphthalen-2-yloxy]-acetic acid methyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc2c(cc1O)ccc(Br)c2)Nc3ccccc3OC
(2)InChI: InChI=1/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)
(3)InChIKey: JIEINYQEXWLMCU-UHFFFAOYAN