4-tert-Butylbenzenesulfonyl chloride

C₁₀H₁₃ClO₂SCAS 15084-51-2232.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃ClO₂S
Molar mass: 232.72 g/mol
Exact mass: 232.0325 Da
logP: 2.91Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage82% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

15084-51-2

SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)Cl

InChIKey

YEZADZMMVHWFIY-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

1 names

4-t-Butylbenzenesulfonyl chloride

Work with 4-tert-Butylbenzenesulfonyl chloride

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

4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-660 % similar 4-Methanesulfonylbenzene-1-sulfonyl chloride82964-91-859 % similar (1,1'-Biphenyl)-4,4'-disulfonyl dichloride3406-84-656 % similar 4-Toluenesulfonyl chloride98-59-955 % similar 4-tert-Butylbenzenesulfonamide6292-59-755 % similar 4-Chlorobenzenesulfonyl chloride98-60-252 % similar 1,4-Di-tert-butylbenzene1012-72-250 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-N-Butylbenzenesulfonyl chloride54997-92-1 2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-0

Elsewhere

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