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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
O,O,S-tris(4-aminophenyl) thiophosphate

Inventory

EC number:
258-083-6
EC name:
Tris(4-aminophenyl) thiophosphate
CAS number:
52664-35-4
CAS number:
52664-35-4
Synonyms
Names:
Phenol, 4-amino-, phosphorothioate (3:1) (ester)
Identifier:
IUPAC name
4-bis(4-aminophenoxy)phosphinothioyloxyaniline
Identifier:
other: InChl
1S/C18H18N3O3PS/c19-13-1-7-16(8-2-13)22-25(26,23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H,19-21H2
Identifier:
other: SMILES notation
c1(OP(=S)(Oc2ccc(N)cc2)Oc2ccc(cc2)N)ccc(cc1)N

Molecular and structural information

Molecular formula:
C18H18N3O3PS
Molecular weight:
387.4
SMILES notation:
Nc1ccc(OP(=O)(Oc2ccc(N)cc2)Sc3ccc(N)cc3)cc1
InChl:
InChI=1/C18H18N3O3PS/c19-13-1-7-16(8-2-13)23-25(22,24-17-9-3-14(20)4-10-17)26-18-11-5-15(21)6-12-18/h1-12H,19-21H2
Structural formula:
Chemical structure

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