chempirical

3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride

C7H3BrClF3O2SCAS 351003-46-8323.51 g/mol

Open in Covalent MOL file
SOOClBrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrClF3O2S
Molar mass
323.51 g/mol
Exact mass
321.8678 Da
logP
3.40Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
351003-46-8
SMILES
C1=C(C=C(C=C1S(=O)(=O)Cl)Br)C(F)(F)F
InChIKey
YBUJCZFWJSUTSN-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClF3O2S/c8-5-1-4(7(10,11)12)2-6(3-5)15(9,13)14/h1-3H

Weigh it out

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

Work with 3-Bromo-5-(trifluoromethyl)benzenesulfonyl 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

3,5-Bis(trifluoromethyl)benzenesulphonyl chloride39234-86-174 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-657 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-155 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-355 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-654 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-250 % similar 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-150 % similar 3-Bromobenzenesulfonyl chloride2905-24-049 % similar

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

Same formula

2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-4 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-8 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-9 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook