Basic information
- CAS
31184-53-9- Standard SMILES
Oc1ccc2c(c1)CCc1cn[nH]c1-2- InChIKey
LOTQTXAXHJARHM-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Overview
structure
Names & identifiers
- Preferred name
- Hydroxybenzindazole
- IUPAC
- 4,5-dihydro-1H-benzo[g]indazol-7-ol
- English name
- 1H-Benz[g]indazol-7-ol,4,5-dihydro-
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.2099
Names & synonyms
Hydroxybenzindazole31184-53-9NSC-142075GJ54V4F3PE1H-Benz[g]indazol-7-ol, 4,5-dihydro-1H-Benz(g)indazol-7-ol, 4,5-dihydro-RefChem:1471444,5-Dihydro-1H-benzo[g]indazol-7-olCHEMBL4410194,5-DIHYDRO-1H-BENZO(G)INDAZOL-7-OLNSC 142075SCHEMBL11848657
Show more names
1H-Benz[g]indazol-7-ol,4,5-dihydro-
DTXSID40953268BDBM50354814NSC142075AKOS0240152194,5-Dihydro-1H-benz[g]indazol-7-ol4,5-Dihydro-2H-benzo[g]indazol-7-olDB-337252
Database identifiers
- CAS
31184-53-9- PubChem CID
- 97667
- DTXSID
DTXSID40953268- ChEMBL
CHEMBL441019- UNII
- GJ54V4F3PE
- EC Number
- 149-414-4、993-167-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
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)
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%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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