4-Amino-6-chlorobenzene-1,3-di(sulphonyl chloride)

C₆H₄Cl₃NO₄S₂CAS 671-89-6324.57 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄Cl₃NO₄S₂
Molar mass: 324.57 g/mol
Exact mass: 322.8647 Da
Melting point: 130–132 °C
logP: 1.78Crippen estimate
Polar surface area: 94.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 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

671-89-6

SMILES

Nc1cc(Cl)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl

InChIKey

YIZXGHNDQUYDDF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl3NO4S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2H,10H2

Weigh it out

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

Names and synonyms

6 names

4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride
1,3-Benzenedisulfonyl dichloride, 4-amino-6-chloro-
m-Benzenedisulfonyl chloride, 4-amino-6-chloro-
5-Chloroaniline-2,4-disulfonyl dichloride
4-Amino-6-chloro-1,3-benzenedisulfonyl chloride
5-Chloro-2,4-dichlorosulfonylaniline

Work with 4-Amino-6-chlorobenzene-1,3-di(sulphonyl 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

2,4,5-Trichlorobenzenesulfonyl chloride15945-07-064 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-259 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-456 % similar 2-Chloro-4,5-difluorobenzenesulfonyl chloride67475-58-556 % similar 2-Chlorobenzenesulfonyl chloride2905-23-952 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-352 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-352 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-050 % similar

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

Elsewhere

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