CAS No.52548-84-2,1-(2-Chloroethyl)-1,3-Dihydro-2H-Benzimidazol-2-One Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52548-84-2
Name:	1-(2-Chloroethyl)-1,3-Dihydro-2H-Benzimidazol-2-One
Article Data:	3

Formula:	C₉H₉ClN₂O
Molecular Weight:	196.63
Synonyms:	N-(2-Chloroethyl)-2-benzimidazolone;2-Benzimidazolinone,1-(2-chloroethyl)- (6CI);1-(2-Chloroethyl)-1,3-dihydrobenzimidazol-2-one;1-(2-Chloroethyl)-2-benzimidazolinone;
Density:	1.302 g/cm³
Melting Point:	150-152°C
PSA:	37.79000
LogP:	1.56840

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Specification

The 1-(2-Chloroethyl)-2,3-dihydrobenzimidazol-2-one, with the CAS registry number 52548-84-2, is also known as 2H-benzimidazol-2-one, 1-(2-chloroethyl)-1,3-dihydro-. Its molecular formula is C₉H₉ClN₂O and its molecular weight is 196.63. Additionally, its systematic name is 3-(2-chloroethyl)-1H-benzimidazol-2-one.

Other characteristics of the 1-(2-Chloroethyl)-2,3-dihydrobenzimidazol-2-one can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.187; (4)ACD/LogD (pH 7.4): 2.187; (5)ACD/BCF (pH 5.5): 27.027; (6)ACD/BCF (pH 7.4): 27.026; (7)ACD/KOC (pH 5.5): 368.551; (8)ACD/KOC (pH 7.4): 368.542; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.34 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 50.425 cm³; (15)Molar Volume: 151.074 cm³; (16)Polarizability: 19.99×10^-24cm³; (17)Surface Tension: 44.964 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: °C; (20)Enthalpy of Vaporization: kJ/mol; (21)Boiling Point: °C at 760 mmHg; (22)Vapour Pressure: mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1ccc2c(c1)[nH]c(=O)n2CCCl
2.InChI: InChI=1/C9H9ClN2O/c10-5-6-12-8-4-2-1-3-7(8)11-9(12)13/h1-4H,5-6H2,(H,11,13)
3.InChIKey: SFTJKCPNRHYWEO-UHFFFAOYAQ