1H-Indazol-3-ylmethanol

HCID 178520026CAS 64132-13-4

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1n[nH]c2ccccc12
InChIKey: NFAIOOKNXAXEBY-UHFFFAOYSA-N
Molecular formula: C8H8N2O
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.06366288

Names & identifiers

Preferred name: 1H-Indazol-3-ylmethanol
IUPAC: 2H-indazol-3-ylmethanol
English name: 3-(Hydroxymethyl)indazole
Molecular formula: C8H8N2O
Molecular weight: 148.16

Names & synonyms

1H-indazol-3-ylmethanolRefChem:438529814-280-4(1H-indazol-3-yl)methanol64132-13-41H-Indazole-3-methanol3-(Hydroxymethyl)indazole2H-indazol-3-ylmethanol3-(HYDROXYMETHYL)-1H-INDAZOLE(1H-indazol-3-yl)-methanolMFCD05260509SCHEMBL960630

Show more names

1H-Indazol-3-Methanol3-(HydroxyMethyl)-1H-inda...3-HYDROXYMETHYL (1H)INDAZOLE

DTXSID40363641STK666033AKOS003396209PB26152CS-0052546EN300-3170803-(Hydroxymethyl)indaAM20040942

Database identifiers

CAS: 64132-13-4
PubChem CID: 1505796

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 138 · 138-139 °C
Boiling point: 380.3 · 380.3±17.0 °C(Predicted)
Density: 1.36 · 1.360±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 13.56 · 13.56±0.10(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.