CAS No.2080-75-3,5-METHOXY-2-BENZIMIDAZOLINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2080-75-3
Name:	5-METHOXY-2-BENZIMIDAZOLINONE
Article Data:	19

Formula:	C₈H₈N₂O₂
Molecular Weight:	164.164
Synonyms:	2-Benzimidazolinone,5-methoxy- (6CI,7CI,8CI);5-Methoxy-1,3-dihydrobenzimidazol-2-one;5-Methoxy-1H-benzo[d]imidazol-2(3H)-one;
Density:	1.252 g/cm³
Melting Point:	255 °C
Boiling Point:	174.5 °C at 760 mmHg
Flash Point:	59.3 °C
Appearance:	Off-White Crystalline Solid
Hazard Symbols:	C,T
Risk Codes:	R34
PSA:	57.88000
LogP:	0.86480

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Specification

The2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy-, with the CAS registry number 2080-75-3, is also known as 1,3-Dihydro-5-methoxy-2H-benzimidazole-2-one. It belongs to the product categories of Benzimidazole; API Intermediates; Aromatics Compounds; Aromatics. This chemical's molecular formula is C₈H₈N₂O₂ and molecular weight is 164.16. What's more, its systematic name is called 5-Methoxy-1,3-dihydro-2H-benzimidazol-2-one. This chemical is off-white crystalline solid and it can be used as a useful synthetic intermediate.

Physical properties about 2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy- are: (1) ACD/LogP: 1.38; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.38; (4) ACD/LogD (pH 7.4): 1.38; (5) ACD/BCF (pH 5.5): 6.58; (6) ACD/BCF (pH 7.4): 6.58; (7) ACD/KOC (pH 5.5): 134.08; (8) ACD/KOC (pH 7.4): 134.07; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 32.78 Å²; (13) Index of Refraction: 1.565; (14) Molar Refractivity: 42.7 cm³; (15) Molar Volume: 131 cm³; (16) Surface Tension: 41.4 dyne/cm; (17) Density: 1.252 g/cm³; (18)Flash Point: 59.3 °C; (19) Enthalpy of Vaporization: 41.09 kJ/mol; (20) Boiling Point: 174.5 °C at 760 mmHg; (21) Vapour Pressure: 1.2 mmHg at 25 °C; (22) Melting Point: 255 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Nc1ccc(OC)cc1N2
(2) InChI: InChI=1/C8H8N2O2/c1-12-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
(3) InChIKey: AUPLVAKFTYFHTA-UHFFFAOYAF