Basic information
- CAS
1123-97-3- Standard SMILES
O=C1NC2CCCCC2N1- InChIKey
RWIIUBCMPVZLBA-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
Names & identifiers
- Preferred name
- Hexahydro-2-benzimidazolinone
- IUPAC
- 1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
- English name
- cis-Octahydro-2H-benzimidazol-2-one
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
Hexahydro-2-benzimidazolinoneoctahydro-2h-benzimidazol-2-one2-Benzimidazolinone, hexahydro-2H-Benzimidazol-2-one, octahydro-RefChem:786134683-083-11123-97-3cis-Octahydro-2H-benzimidazol-2-onehexahydro-1H-benzo[d]imidazol-2(3H)-one1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-oneSCHEMBL2881411SCHEMBL3962530
Show more names
hexahydro-2-benzimidazolinonoctahydro-2h-benzimidazol-2-onOctahydro-2h-benzo[d]imidazol-2-onecis-Octahydro-2H-benzimidazol-2-one 99%
DTXSID10920725RWIIUBCMPVZLBA-UHFFFAOYSA-N4,5-tetramethylene-2-imidazolinoneAKOS006351713AS-852403a,4,5,6,7,7a-Hexahydro-1H-benzimidazol-2-ol3a,4,5,6,7,7a-Hexahydro-1H-1,3-benzimidazol-2-ol
Database identifiers
- CAS
1123-97-3- PubChem CID
- 101982
- DTXSID
DTXSID10920725- EC Number
- 683-083-1
- Nikkaji
- J41.294E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 149 · 149-152 °C(lit.)
- Boiling point
- 218 · 218-220 °C/14 mmHg(lit.)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.20(Predicted)
- InChI
- 1S/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)/t5-,6+
- InChIKey
- RWIIUBCMPVZLBA-OLQVQODUSA-N
- SMILES
- [H][C@@]12CCCC[C@]1([H])NC(=O)N2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DE2110000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usescis-Octahydro-2H-benzimidazol-2-one may be used in the preparation of hemicyclohexyl-cucurbit[n]uril (hmcyCucn).
Suppliers12 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Aladdin Scientific[email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
5 records
Compound notes
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