Basic information
- CAS
35681-40-4- Standard SMILES
CC(C)n1c(=O)[nH]c2ccccc21- InChIKey
IKWYGATUQXCBFU-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 3-propan-2-yl-1H-benzimidazol-2-one
- English name
- 1-(2-PROPYL)-2-BENZIMIDAZOLIDINONE
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
35681-40-4DTXSID803647131-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-oneRefChem:227020DTXCID903157561-Isopropyl-3H-1,3-benzodiazol-2-one1-Isopropyl-1H-benzo[d]imidazol-2(3H)-one1-Isopropyl-1,3-dihydro-2H-benzimidazol-2-one3-propan-2-yl-1H-benzimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-methylethyl)-MFCD010676391-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
Show more names
1-Isopropyl-2-benzimidazolinone1-(2-PROPYL)-2-BENZIMIDAZOLIDINONE1-isopropyl-1H-benzol(d)imidazol-2(3H)-one1-Isopropyl-2-oxo-2,3-dihydrobenzimidazole1,3-dihydro-1-(1-methylethyl)-2H-Benzimidazol-2-one2H-BenziMidazol-2-one,1,3-dihydro-1-(1-Methylethyl)-2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethyl)-(9CI)
1-(methylethyl)-3-hydrobenzimidazol-2-oneMLS0000979411-isopropylbenzimidazoloneSCHEMBL828232SCHEMBL4813307SCHEMBL7265634CHEMBL1359168SCHEMBL13031107
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 129 ℃ · 129℃
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers17 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
40 records
Compound notes
Loading…