chempirical

C.I. Oxidation base 13A

C6H9ClN2O4SCAS 6219-71-2240.66 g/mol

Open in Covalent MOL file
H2NNH2ClOSOHOOH
Aryl halidePrimary amine

Properties

Molecular formula
C6H9ClN2O4S
Molar mass
240.66 g/mol
Exact mass
239.9972 Da
logP
0.85Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
6219-71-2
SMILES
Nc1ccc(N)c(Cl)c1.O=S(=O)(O)O
InChIKey
GQFGHCRXPLROOF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Benzenediamine, 2-chloro-, sulfate (1:?)
  • p-Phenylenediamine, 2-chloro-, sulfate
  • 1,4-Benzenediamine, 2-chloro-, sulfate
  • C.I. 76066
  • Fourrine 81
  • Fourrine SO
  • Renal brown SO
  • Renal SO

Work with C.I. Oxidation base 13A

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-Chloro-P-phenylenediamine615-66-769 % similar 2,5-Diaminotoluene sulfate615-50-961 % similar 1,3-Phenylenediamine sulfate541-70-859 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-458 % similar 2,5-Diaminoanisole sulfate66671-82-758 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-557 % similar 2-(2,5-Diaminophenyl)ethanol sulfate (1:1)93841-25-955 % similar 2,4-Diaminoanisole sulfate39156-41-754 % similar

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

Same formula

2-Chloro-1,4-diaminobenzene monosulfate61702-44-1

Elsewhere

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