Basic information
- CAS
117-55-5- Standard SMILES
Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12- InChIKey
PHZVGKMVVKFBCX-UHFFFAOYSA-N- Molecular formula
- C10H9NO6S2
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 302.98712901
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 4-amino-
- IUPAC
- 4-aminonaphthalene-1,5-disulfonic acid
- English name
- 4-aminonaphthalene-1,5-disulphonic acid
- Molecular formula
- C10H9NO6S2
- Molecular weight
- 303.31
Names & synonyms
117-55-54-aminonaphthalene-1,5-disulfonic acid4-Amino-1,5-naphthalenedisulfonic acid1,5-NAPHTHALENEDISULFONIC ACID, 4-AMINO-1-Naphthylamine-4,8-disulfonic acid1-Naphthylamine-4,8-disulphonic acid1-Aminonaphthalene-4,8-disulfonic acidNSC 5526NSC-5526EINECS 204-196-0alpha-Naphthylamine-4,8-disulfonic acidBRN 2764005
Show more names
Amino-S acid8-Amino-1,5-naphthalenedisulfonic acid4-aminonaphthalene-1,5-disulphonic acid
S8Q5P7M5R9DTXSID701516544-amino-1,5-naphthalenedisulphonic acid1,5-NAPHTHALENEDISULPHONIC ACID, 4-AMINO-AminoS acidRefChem:417437DTXCID90741451Naphthylamine4,8disulphonic acid
Database identifiers
- CAS
117-55-5- PubChem CID
- 8336
- DTXSID
DTXSID70151654- ChEMBL
CHEMBL302641- UNII
- S8Q5P7M5R9
- EC Number
- 204-196-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Naphthylamines
Physicochemical properties
- Boiling point
- 205.8 °C · 205.8°C (rough estimate)
- Density
- 1.6329 · 1.6329 (rough estimate)
- refractive index
- 1.733 · 1.7330 (estimate)
- FDA UNII
- 8 Q5P7M5R9 · S8Q5P7M5R9
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 56 g/kg GISAAA 45(3),73,80
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
Hazards SummaryCauses impaired liver and renal function tests in oral lethal-dose studies of rodents; [RTECS] See alpha-Naphthylamine.
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Safety data
- Toxicity
- LD50 orl-rat: 56 g/kg GISAAA 45(3),73,80
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Related reactions
3 records
Compound notes
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