Indazolinone

HCID 81829

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Basic information

CAS: 7364-25-2
Standard SMILES: O=c1[nH][nH]c2ccccc12
InChIKey: SWEICGMKXPNXNU-UHFFFAOYSA-N
Molecular formula: C7H6N2O
Average molar mass: 134.14 g/mol
Monoisotopic mass: 134.04801282

Names & identifiers

Preferred name: Indazolinone
IUPAC: 1,2-dihydroindazol-3-one
English name: 3-Indazolinone
Molecular formula: C7H6N2O
Molecular weight: 134.14

Names & synonyms

3-Indazolinone7364-25-2IndazolinoneDTXSID20494288E254S9S1RNSC-9352DTXCID1029388RefChem:411682230-904-21H-Indazol-3-ol1H-indazol-3(2H)-one100922-96-1

Show more names

INDAZOLONE3-indazoldone1H-indazol-3-one3-HYDROXYINDAZOLE

1,2-dihydroindazol-3-one3-Hydroxy-1H-indazole2H-Indazol-3-ol1,2-Dihydro-3H-indazol-3-one3H-Indazol-3-one, 1,2-dihydro-3-Indazolone3-Oxo-1,2-indazolehydroxyindazole

Database identifiers

CAS: 7364-25-2
PubChem CID: 81829
DTXSID: DTXSID2049428
ChEMBL: CHEMBL276725
UNII: 8E254S9S1R
EC Number: 230-904-2
Nikkaji: J37.335D、J776.086H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 250 · 250-252 °C (lit.)
Boiling point: 247.23 °C · 247.23°C (rough estimate)
Density: 1.2296 · 1.2296 (rough estimate)
refractive index: 1.588 · 1.5880 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 11.94 · 11.94±0.20(Predicted)
color: White to Light yellow to Light orange
λmax: 306 nm · 306nm(MeOH)(lit.)
BRN: 3733 · 3733
InChI: InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
InChIKey: SWEICGMKXPNXNU-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C(=O)N1
CAS DataBase Reference: 7364 · 7364-25-2(CAS DataBase Reference)
FDA UNII: 8 E254S9S1R · 8E254S9S1R
NIST Chemistry Reference: 3 H-indazol-3-one, · 3H-indazol-3-one, 1,2-dihydro-(7364-25-2)
EPA Substance Registry System: 3 H-Indazol-3-one, · 3H-Indazol-3-one, 1,2-dihydro- (7364-25-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 10 · 10
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

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.