2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy- supplier

Name
5-METHOXY-2-BENZIMIDAZOLINONE
EINECS
CAS No. 2080-75-3
Article Data19
CAS DataBase
Density 1.252 g/cm³
Solubility
Melting Point 255 °C
Formula C₈H₈N₂O₂
Boiling Point 174.5 °C at 760 mmHg
Molecular Weight 164.164
Flash Point 59.3 °C
Transport Information
Appearance Off-White Crystalline Solid
Safety
Risk Codes R34
Molecular Structure
Hazard Symbols C,T
Synonyms 2-Benzimidazolinone,5-methoxy- (6CI,7CI,8CI);5-Methoxy-1,3-dihydrobenzimidazol-2-one;5-Methoxy-1H-benzo[d]imidazol-2(3H)-one;
PSA 57.88000
LogP 0.86480

2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy- 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

Product Name

5-METHOXY-2-BENZIMIDAZOLINONE

2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy- Specification

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