1-Hydroxy-1H-benzotriazole hydrate (1:?)

C₆H₇N₃O₂CAS 123333-53-9153.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇N₃O₂
Molar mass: 153.14 g/mol
Exact mass: 153.0538 Da
logP: -0.16Crippen estimate
Polar surface area: 82.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H203 (Deleted) Explosive; fire, blast or projection hazardExplosives

Harmonised EU classification (CLP Annex VI, index 613-285-00-7[2]), via PubChem.

Precautionary statements

P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, P501

Identifiers

CAS number

123333-53-9

SMILES

O.On1nnc2ccccc21

InChIKey

PJUPKRYGDFTMTM-UHFFFAOYSA-N

InChI

InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1H-Benzotriazole, 1-hydroxy-, hydrate (1:?)
1H-Benzotriazole, 1-hydroxy-, hydrate
1-Hydroxybenzotriazole hydrate

Work with 1-Hydroxy-1H-benzotriazole hydrate (1:?)

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hydroxybenzotriazole2592-95-2Anhydrous 1-Hydroxybenzotriazole hydrate80029-43-2

Similar compounds

1H-Benzotriazole-1-methanol28539-02-848 % similar 1-(Trimethylsilyl)-1H-benzotriazole43183-36-448 % similar 1-Methylbenzotriazole13351-73-048 % similar 1-Aminobenzotriazole1614-12-648 % similar 6-Chloro-1-hydroxy-1H-benzotriazole26198-19-647 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-247 % similar 1-Hydroxy-7-azabenzotriazole39968-33-745 % similar 1-Hydroxy-6-(trifluoromethyl)benzotriazole26198-21-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Nitrophenyl)hydrazine100-16-3 6-Hydrazinonicotinic acid133081-24-0 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-2 N4-Acetylcytosine14631-20-0 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-6 2-Amino-3-methyl-5-nitropyridine18344-51-9 2-Amino-3-nitro-6-picoline21901-29-1 2-Amino-5-nitro-4-picoline21901-40-6

Elsewhere

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