2-Chloro-p-phenylenediamine sulfate

C₆H₉ClN₂O₄SCAS 6219-71-2240.66 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₉ClN₂O₄S
Molar mass: 240.66 g/mol
Exact mass: 239.9972 Da
Water solubility: < 1 g/L (21.1 °C)
logP: 0.85Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed12.2% of notifiers
H311 Toxic in contact with skin12.2% of notifiers
H312 Harmful in contact with skin85.7% of notifiers
H315 Causes skin irritation87.8% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled12.2% of notifiers
H332 Harmful if inhaled85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

9 names

1,4-Benzenediamine, 2-chloro-, sulfate (1:?)
p-Phenylenediamine, 2-chloro-, sulfate
1,4-Benzenediamine, 2-chloro-, sulfate
C.I. 76066
C.I. Oxidation base 13A
Fourrine 81
Fourrine SO
Renal brown SO
Renal SO

Work with 2-Chloro-p-phenylenediamine sulfate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Chloro-p-phenylenediamine615-66-7Free base 2-Chloro-1,4-benzenediamine hydrochloride62106-51-8Salt 2-Chloro-p-phenylenediamine sulfate61702-44-1

Similar compounds

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 1,4-Benzenediamine sulfate16245-77-557 % similar Hydroxyethyl-p-phenylenediamine sulfate93841-25-955 % similar 2,4-Diaminoanisole sulfate39156-41-754 % similar Nitro-1,4-benzenediamine sulfate (1:1)68239-83-854 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook