CAS 74731-63-8 2-(1H-1,2,3-triazol-1-yl)ethan-1-ol (HCID 9989237)

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Basic information

CAS: 74731-63-8
Standard SMILES: OCCn1ccnn1
InChIKey: PKHVUMMJMYKRNO-UHFFFAOYSA-N
Molecular formula: C4H7N3O
Average molar mass: 113.12 g/mol
Monoisotopic mass: 113.05891184

Names & identifiers

Preferred name: 2-(1H-1,2,3-triazol-1-yl)ethan-1-ol
IUPAC: 2-(triazol-1-yl)ethanol
English name: 1H-1,2,3 TRIAZOLE-1-ETHANOL
Molecular formula: C4H7N3O
Molecular weight: 113.12

Names & synonyms

2-(1H-1,2,3-TRIAZOL-1-YL)ETHAN-1-OLRefChem:451320824-951-374731-63-81H-1,2,3-Triazole-1-ethanol1H-1,2,3 Triazole-1-ethanol2-(1H-1,2,3-TRIAZOL-1-YL)ETHANOL2-(triazol-1-yl)ethanolMFCD038408051-(2-Hydroxyethyl)-1,2,3-triazole2-(1,2,3-triazol-1-yl)ethanol1-(2-hydroxyethyl)triazole

Show more names

SCHEMBL255015SCHEMBL1098855SCHEMBL7352807DTXSID50433662PKHVUMMJMYKRNO-UHFFFAOYSA-NZCA73163AKOS0062775721H-1,2,3 triazole-1-ethanol, 97%

Database identifiers

CAS: 74731-63-8
PubChem CID: 9989237
DTXSID: DTXSID50433662
EC Number: 824-951-3

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 68.3

Physicochemical properties

Boiling point: 148 · 148-150 °C(Press: 5 Torr)
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 13.77 · 13.77±0.10(Predicted)
form: solid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C4H7N3O/c8-4-3-7-2-1-5-6-7/h1-2,8H,3-4H2
InChIKey: PKHVUMMJMYKRNO-UHFFFAOYSA-N
SMILES: OCCn1ccnn1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)

Safety data

wgk: WGK 3
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H318-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501