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2H-Benzimidazol-2-one,octahydro-

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Name

2H-Benzimidazol-2-one,octahydro-

EINECS N/A
CAS No. 1123-97-3 Density 1.084 g/cm3
PSA 41.13000 LogP 1.26800
Solubility N/A Melting Point 149-152 °C(lit.)
Formula C7H12N2O Boiling Point 365.2 °C at 760 mmHg
Molecular Weight 140.185 Flash Point 181.2 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1123-97-3 (CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE) Hazard Symbols IrritantXi
Synonyms

Octahydro-2H-benzimidazol-2-one;2-Benzimidazolinone,hexahydro- (6CI,7CI,8CI);Hexahydro-2-benzimidazolinone;

Article Data 11

2H-Benzimidazol-2-one,octahydro- Specification

The CAS register number of 2H-Benzimidazol-2-one,octahydro- is 1123-97-3. It also can be called as Hexahydro-2-benzimidazolinone and the systematic name about this chemical is octahydro-2H-benzimidazol-2-one. The molecular formula about this chemical is C7H12N2O and the molecular weight is 140.18298. It belongs to the following product categories which include Benzimidazoles; Building Blocks; Heterocyclic Building Blocks and so on.

Physical properties about 2H-Benzimidazol-2-one,octahydro- are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): 0.32; (4)ACD/BCF (pH 5.5): 1.02; (5)ACD/BCF (pH 7.4): 1.02; (6)ACD/KOC (pH 5.5): 35.39; (7)ACD/KOC (pH 7.4): 35.39; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 37.16 cm3; (13)Molar Volume: 129.2 cm3; (14)Polarizability: 14.73x10-24cm3; (15)Surface Tension: 32.6 dyne/cm; (16)Density: 1.084 g/cm3; (17)Flash Point: 181.2 °C; (18)Enthalpy of Vaporization: 61.15 kJ/mol; (19)Boiling Point: 365.2 °C at 760 mmHg; (20)Vapour Pressure: 1.59E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. It is stable under normal temperature and pressure. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.  Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC2CCCCC2N1
(2)InChI: InChI=1/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
(3)InChIKey: RWIIUBCMPVZLBA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
(5)Std. InChIKey: RWIIUBCMPVZLBA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 138, 1971.

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