1-benzyl-1,2-dihydro-3h-indazol-3-one, sodium salt
Basic information
- CAS
13185-09-6- Standard SMILES
O=c1[nH]n(Cc2ccccc2)c2ccccc12.[Na+]- InChIKey
POYTWGDRMIVNEF-UHFFFAOYSA-N- Molecular formula
- C14H12N2NaO+
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.08473229
Names & identifiers
- Preferred name
- 1-benzyl-1,2-dihydro-3h-indazol-3-one, sodium salt
- IUPAC
- sodium 1-benzyl-2H-indazol-3-one
- English name
- 1-benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt
- Molecular formula
- C14H12N2O.Na
- Molecular weight
- 0
Names & synonyms
1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium saltEINECS 236-138-5EC 236-138-5RefChem:227887236-138-513185-09-6sodium;1-benzyl-2H-indazol-3-oneNS000781291-Benzyl-3-indazolone SodiuM Salt1-Benzyl-1H-indazol-3-ol SodiuM Salt1-Benzyl-3-Hydroxy-1H-IndazoleSodiumSalt3-Hydroxy-1-benzyl-1H-indazole sodium salt
Show more names
Sodium 1-(phenylmethyl)-1H-indazole-3-olate1,2-Dihydro-1-(phenylMethyl)-3H-indazol-3-one SodiuM Salt3H-Indazol-3-one,1,2-dihydro-1-(phenylmethyl)-, sodium salt (1:1)
Database identifiers
- CAS
13185-09-6- PubChem CID
- 20136715
- EC Number
- 236-138-5
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 286
Physicochemical properties
- Melting point
- 220 C · >220C (dec.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Yellow
- LogP
- 0.022 · 0.022
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 412 · H412-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P501
- REACH Registrations
- Active
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]
P261, P264, P264+P265, P270, P271, P273, 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt (EC: 236-138-5)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H412-H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P501
Chemistry & industry
Applications
UsesIntermediate in the production of Benzydamine Hydrochloride
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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