Products Categories
| CAS No.: | 1123-97-3 |
|---|---|
| Name: | CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12N2O |
| Molecular Weight: | 140.185 |
| Synonyms: | Octahydro-2H-benzimidazol-2-one;2-Benzimidazolinone,hexahydro- (6CI,7CI,8CI);Hexahydro-2-benzimidazolinone; |
| Density: | 1.084 g/cm3 |
| Melting Point: | 149-152 °C(lit.) |
| Boiling Point: | 365.2 °C at 760 mmHg |
| Flash Point: | 181.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 41.13000 |
| LogP: | 1.26800 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:5 Page 1 of 1 1
What can I do for you?
Get Best Price
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. |