Basic information
- CAS
86-65-7- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1- InChIKey
CMOLPZZVECHXKN-UHFFFAOYSA-N- Molecular formula
- C10H9NO6S2
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 302.98712935
Names & identifiers
- Preferred name
- 7-Amino-1,3-naphthalenedisulfonic acid
- IUPAC
- 7-aminonaphthalene-1,3-disulfonic acid
- English name
- 7-Amino-1,3-naphthalenedisulfonic acid
- Molecular formula
- C10H9NO6S2
- Molecular weight
- 303.31
Names & synonyms
Show more names
Database identifiers
- CAS
86-65-7- PubChem CID
- 6851
- DTXSID
DTXSID4058944- ChEMBL
CHEMBL59189- UNII
- 7C482FX29K
- EC Number
- 201-689-2
- Nikkaji
- J10.617H
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
Physicochemical properties
- Melting point
- 300 °C · 300°C
- Density
- 1.6329 · 1.6329 (rough estimate)
- refractive index
- 1.733 · 1.7330 (estimate)
- pka
- -0.93 · -0.93±0.40(Predicted)
- form
- Powder or Needles
- color
- Off-white to beige-green to light brown
- Water Solubility
- soluble
- CAS DataBase Reference
- 86 · 86-65-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 C482FX29K · 7C482FX29K
- EPA Substance Registry System
- 1 · 1,3-Naphthalenedisulfonic acid, 7-amino- (86-65-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-28A
- RIDADR
- 1759 · 1759
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214900 · 29214900
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Danger
H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety & protection
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Toxicology
Regulatory information
Safety data
- tsca
- TSCA listed
- ridadr
- 1759
- hs_code
- 29214900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-28A
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
Applications
UsesAzo dye intermediate.
Uses7-Amino-1,3-naphthalenedisulfonic Acid is a reagent which may be used in the preparation of pyrimidine derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
Related reactions
Compound notes
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