[1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol - CAS 111340-39-7
Catalog: |
BB050844 |
Product Name: |
[1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol |
CAS: |
111340-39-7 |
Synonyms: |
(1-isopropyl-1H-1,2,4-triazol-5-yl)methanol; (2-isopropyl-2H-1,2,4-triazol-3-yl)methanol; 1H-1,2,4-Triazole-5-methanol, 1-(1-methylethyl)-; 1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol |
IUPAC Name: | (2-propan-2-yl-1,2,4-triazol-3-yl)methanol |
Molecular Weight: | 141.17 |
Molecular Formula: | C6H11N3O |
Canonical SMILES: | CC(C)N1C(=NC=N1)CO |
InChI: | InChI=1S/C6H11N3O/c1-5(2)9-6(3-10)7-4-8-9/h4-5,10H,3H2,1-2H3 |
InChI Key: | XIAOMTCYUPNRKB-UHFFFAOYSA-N |
Boiling Point: | 290.4±42.0°C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | 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] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.090211983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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