CAS 288-35-7 1H-1,2,3-Triazole (HCID 67516)

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Basic information

CAS: 288-35-7
Standard SMILES: c1cn[nH]n1
InChIKey: QWENRTYMTSOGBR-UHFFFAOYSA-N
Molecular formula: C2H3N3
Average molar mass: 69.07 g/mol
Monoisotopic mass: 69.0326971

Overview

1H-1,2,3-triazole is a 1,2,3-triazole. It is a tautomer of a 2H-1,2,3-triazole and a 4H-1,2,3-triazole.

Names & identifiers

Preferred name: 1H-1,2,3-Triazole
IUPAC: 2H-triazole
English name: 2H-1,2,3-Triazole
Molecular formula: C2H3N3
Molecular weight: 69.07

Names & synonyms

1H-1,2,3-Triazole288-36-82H-1,2,3-triazole1,2,3-Triazole288-35-71,2,3-1H-Triazole2H-triazoleOsotriazoletriazol1,2,3-triazolV-triazole27070-49-1

Show more names

Fluorescein Impurity 7

MFCD00014490Triazacyclopentadieneracemic triazole1H-1,2,3-triazol2,3-Diazapyrrole1,2,3 triazole1H-[1,2,3]triazole2H-(1,2,3)-triazole

Database identifiers

CAS: 288-35-7、288-36-8、37306-44-8
PubChem CID: 67516
DTXSID: DTXSID30870495
ChEMBL: CHEMBL2148102
ChEBI: CHEBI:35565
UNII: EM7554254W
EC Number: 608-262-3
Nikkaji: J124.171K、J5.453D

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 24.1

Physicochemical properties

Melting point: 23.5 °C · 23.5 °C
Boiling point: 203 °C · 203 °C(Press: 752 Torr)
Density: 1.274 · 1.274±0.06 g/cm3(Predicted)
refractive index: 1.498 · 1.498
Flash point: 107 ° · 107°
storage temp.: Sealed in dry,Room Temperature
pka: 8.73 · 8.73±0.70(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 91 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24423

1H-1,2,3-Triazole: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362