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Benzenearsonic acid, p-((p-(dimethylamino)phenyl)azo)-

HCID 94822
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Basic information

CAS
622-68-4
Standard SMILES
CN(C)c1ccc(N=Nc2ccc([As](=O)(O)O)cc2)cc1
InChIKey
VESQGSDAHXGDIU-UHFFFAOYSA-N
Molecular formula
C14H16AsN3O3
Average molar mass
349.22 g/mol
Monoisotopic mass
349.040761

Names & identifiers

Preferred name
Benzenearsonic acid, p-((p-(dimethylamino)phenyl)azo)-
IUPAC
[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]arsonic acid
English name
4-DIMETHYLAMINOAZOBENZENE-4-ARSONIC ACID
Molecular formula
C14H16AsN3O3
Molecular weight
349.22

Names & synonyms

4-(Dimethylamino)azobenzene-4'-arsonic acid4-Dimethylaminoazobenzene arsonic acidNSC 4189EINECS 210-750-24-(4-Dimethylaminophenylazo)phenylarsonic acidBRN 0674398p-((p-(Dimethylamino)phenyl)azo)benzenearsonic acid4-(4-(N,N-Dimethylaminophenylazo))benzenearsonic acidBenzenearsonic acid, p-((p-(dimethylamino)phenyl)azo)-Arsonic acid, (4-((4-(dimethylamino)phenyl)azo)phenyl)-3-16-00-01145 (Beilstein Handbook Reference)Benzenearsonic acid, p-[[p-(dimethylamino)phenyl]azo]-
Show more names
ZiconVESQGSDAHXGDIU-WUKNDPDISA-N4-DIMETHYLAMINOAZOBENZENE-4-ARSONIC ACID4-(Dimethylamino)azobenzene-4'-ylarsonic acid4'-(Dimethylamino)azobenzene-4-ylarsonic acidP-(P-DIMETHYLAMINOPHENYLAZO)BENZENE ARSONIC ACIDSodium,2-hydroxy-5-methylazobenzene-4'-sulfonic acidSodium, 2-hydroxy-5-methylazobenzene-4'-sulfonic acid[4-[4-(dimethylamino)phenyl]diazenylphenyl]arsonic acid
4-[4-(N,N-Dimethylaminophenylazo)]benzenearsonic acidArsonic acid, [4-[[4-(dimethylamino)phenyl]azo]phenyl]-As-[4-[2-[4-(Dimethylamino)phenyl]diazenyl]phenyl]arsonic acidAs-(4-(2-(4-(Dimethylamino)phenyl)diazenyl)phenyl)arsonic acidRefChem:5629854Dimethylaminoazobenzene arsonic acidpDimethylaminophenylazophenylarsonic acid4(Dimethylamino)azobenzene4'arsonic acid

Database identifiers

CAS
622-68-4
PubChem CID
94822
DTXSID
DTXSID50872057
UNII
ZY24ULS7AR
EC Number
210-750-2
Nikkaji
J79.757J

Properties

Computed structural propertiesFilling in

Topological polar surface area
85.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
394

Experimental & physicochemical properties

Chemical ClassesMetals -> Arsenic Compounds, Organic

Physicochemical properties

Boiling point
606 · 606.0±65.0 °C(Predicted)
pka
3.2 · 3.20±0.10(Predicted)
REACH Annex XVII Substances List
4 · 4-(4-dimethylaminophenylazo)phenylarsonic acid (622-68-4)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationRestricted substance: 4-(4-dimethylaminophenylazo)phenylarsonic acid
Hazards SummaryOral lethal-dose (rat) > 1,000 mg/kg; [RTECS] See Arsanilic acid and Roxarsone.

Safety & protection

Permissible Exposure Limit (PEL)0.5 [mg/m3], as As

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