Basic information
- CAS
39513-24-1- Standard SMILES
O=c1[nH]c2ccc(O)cc2[nH]1- InChIKey
LVWUZNNDSSEHBV-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.04292744
Names & identifiers
- Preferred name
- 2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-
- IUPAC
- 5-hydroxy-1,3-dihydrobenzimidazol-2-one
- English name
- 2H-Benzimidazol-2-one,1,3-dihydro-5-hydroxy-(9CI)
- Molecular formula
- C7H6N2O2
- Molecular weight
- 150.13
Names & synonyms
39513-24-11,3-Dihydro-5-hydroxy-2H-benzimidazol-2-one5-hydroxy-1h-benzo[d]imidazol-2(3h)-one2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-MFCD188144585-hydroxy-1,3-dihydrobenzimidazol-2-one2H-Benzimidazol-2-one,1,3-dihydro-5-hydroxy-(9CI)5-Hydroxy-1,3-dihydro-2H-benzo[d]imidazol-2-one5-hydroxy-2,3-dihydro-1H-1,3-benzodiazol-2-oneSCHEMBL3226331CHEMBL3218376SCHEMBL28151598
Show more names
5-Hydroxy-1,3-dihydro-benzoimidazol-2-oneV 820-143-Dihydro-5-hydroxy-2H-benzimidazol-2-one
SCHEMBL28151599SCHEMBL307043925-Hydroxybenzimidazol-2(3h)-oneLVWUZNNDSSEHBV-UHFFFAOYSA-NDTXSID901263583PBA51324AKOS017514613AKOS022468223
Database identifiers
- CAS
39513-24-1- PubChem CID
- 13616640
- DTXSID
DTXSID901263583- ChEMBL
CHEMBL3218376
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 260 · 260-262℃
- Boiling point
- 191.1 · 191.1±19.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 10.42 · 10.42±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
Nextpeptide Inc
Related reactions
3 records
Compound notes
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