1-Methylbenzotriazole
Properties
- Molecular formula
- C7H7N3
- Molar mass
- 133.15 g/mol
- Exact mass
- 133.0640 Da
- Melting point
- 64.5 °C
- Boiling point
- 270.5 °C
- logP
- 0.97Crippen estimate
- Polar surface area
- 30.7 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
13351-73-0SMILES
Cn1nnc2ccccc21InChIKey
HXQHRUJXQJEGER-UHFFFAOYSA-NInChI
InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Benzotriazole, 1-methyl-
- 1-Methyl-1H-benzotriazole
- 1-Methyl-1,2,3-benzotriazole
- NSC 11743
- 1-Methyl-1H-benzo[d][1,2,3]triazole
- 1-Methyl-1H-1,2,3-benzotriazole
Work with 1-Methylbenzotriazole
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Hydroxybenzotriazole2592-95-254 % similar
5-Bromo-1-methyl-1H-benzo[D][1,2,3]triazole944718-31-453 % similar
1-Aminobenzotriazole1614-12-652 % similar
1-(Trimethylsilyl)-1H-benzotriazole43183-36-452 % similar
1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-948 % similar
1-Hydroxybenzotriazole hydrate80029-43-248 % similar
1H-Benzotriazole-1-methanol28539-02-847 % similar
Bis(hydroxybenzotriazolyl) carbonate88544-01-844 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.