Basic information
- CAS
84-94-6- Standard SMILES
Cc1cc(N)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
XXZDPVOWJBCNQC-UHFFFAOYSA-N- Molecular formula
- C17H15N3O6S2
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.04022755
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 3-(2-(4-amino-2-methylphenyl)diazenyl)-
- IUPAC
- 3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid
Names & synonyms
EINECS 201-575-21,5-Naphthalenedisulfonic acid, 3-((4-amino-2-methylphenyl)azo)-3-((4-Amino-2-methylphenyl)azo)-1,5-naphthalenedisulfonic acid1,5-Naphthalenedisulfonic acid, 3-[(4-amino-2-methylphenyl)azo]-1,5-Naphthalenedisulfonic acid, 3-(2-(4-amino-2-methylphenyl)diazenyl)-3-((4-Amino-o-tolyl)azo)naphthalene-1,5-disulphonic acid3-[(4-amino-o-tolyl)azo]naphthalene-1,5-disulphonic acid3-[(4-Amino-2-methylphenyl)azo]-1,5-naphthalenedisulfonic acid1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-2-methylphenyl)diazenyl]-3-[2-(4-Amino-2-methylphenyl)diazenyl]-1,5-naphthalenedisulfonic acid3-(2-(4-Amino-2-methylphenyl)diazenyl)-1,5-naphthalenedisulfonic acidRefChem:417423
Show more names
201-575-284-94-6CHEMBL222994MH3QME85AJSCHEMBL4650840DTXSID2058914SCHEMBL10351779SCHEMBL10351781
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 789
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-2-methylphenyl)diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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