2,4,6-Triisopropylbenzenesulfonyl azide

C₁₅H₂₃N₃O₂SCAS 36982-84-0309.43 g/mol

Open in Covalent MOL file

Azide

Properties

Molecular formula: C₁₅H₂₃N₃O₂S
Molar mass: 309.43 g/mol
Exact mass: 309.1511 Da
logP: 5.06Crippen estimate
Polar surface area: 82.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H241 Heating may cause a fire or explosion81.2% of notifiers
H301 Toxic if swallowed85.4% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation14.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380+P375[+P378], P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

36982-84-0

SMILES

CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])c(C(C)C)c1

InChIKey

AEMWUHCKKDPRSK-UHFFFAOYSA-N

InChI

InChI=1S/C15H23N3O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)21(19,20)18-17-16/h7-11H,1-6H3

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Names and synonyms

7 names

Benzenesulfonyl azide, 2,4,6-tris(1-methylethyl)-
2,4,6-Tris(1-methylethyl)benzenesulfonyl azide
2,4,6-Triisopropylphenylsulfonyl azide
Trisyl azide
2,4,6-Tris(isopropyl)benzenesulfonyl azide
NSC 646156
2,4,6-Tris(propan-2-yl)benzene-1-sulfonyl azide

Work with 2,4,6-Triisopropylbenzenesulfonyl azide

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

Similar compounds

2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride6553-96-449 % similar 2,4,6-Triisopropylbenzenesulphonohydrazide39085-59-146 % similar Tosyl azide941-55-940 % similar 1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole50257-40-440 % similar 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole54230-60-340 % similar 1-Bromo-2,4,6-triisopropylbenzene21524-34-537 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-236 % similar 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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