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8-(Phenylamino)-5-((4-((5-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1-sulphonic acid

HCID 18308
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Basic information

CAS
30255-64-2
Standard SMILES
O=S(=O)(O)c1cccc2c(N=Nc3ccc(N=Nc4ccc(Nc5ccccc5)c5c(S(=O)(=O)O)cccc45)c4ccccc34)cccc12
InChIKey
JWRKFFQQNVQJLW-UHFFFAOYSA-N
Molecular formula
C36H25N5O6S2
Average molar mass
687.7 g/mol
Monoisotopic mass
687.12462588

Names & identifiers

Preferred name
8-(Phenylamino)-5-((4-((5-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1-sulphonic acid
IUPAC
8-anilino-5-[[4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
English name
8-(phenylamino)-5-[[4-[(5-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid
Molecular formula
C36H25N5O6S2
Molecular weight
687.74

Names & synonyms

8-(phenylamino)-5-[[4-[(5-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid8-(Phenylamino)-5-((4-((5-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1-sulphonic acidRefChem:547509250-102-630255-64-2NSC7830C.I. 26370Acid Black (24 and S)EINECS 250-102-6Sulfonine Black (B and BB)Sulphonol Black (B and BR)Alphanol Black (BBN and GV)
Show more names
8-Phenylamino-5-[4-(5-sulfo-1-naphthalenylazo)-1-naphthalenylazo]-1-naphthalenesulfonic acid8-(Phenylamino)-5-[4-(5-sulfo-1-naphthalenylazo)-1-naphthalenylazo]-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-
Durol Black (2B, B, BA)Azo Cyanine Black (B and BB)DTXSID40863095Eriosin Fast Black (2B and B)JWRKFFQQNVQJLW-UHFFFAOYSA-NSupranol Fast Black (B and BB)DTXSID101043727Cyanine Fast Black (2B and 2BG)

Properties

Computed structural properties

XLogP
8.3
Topological polar surface area
187 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
49
Formal charge
0
Complexity
1,390

Physicochemical properties

Density
1.46 · 1.46±0.1 g/cm3(Predicted)
pka
-0.11 · -0.11±0.40(Predicted)

Safety & regulation

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

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes

Database identifiers

CAS
30255-64-2
PubChem CID
18308
DTXSID
DTXSID40863095
EC Number
250-102-6
Nikkaji
J249.946K