6-Amino-1,3-naphthalenedisulfonic acid
Basic information
- CAS
118-33-2- Standard SMILES
Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1- InChIKey
KZCSUEYBKAPKNH-UHFFFAOYSA-N- Molecular formula
- C10H9NO6S2
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 302.98712935
Names & identifiers
- Preferred name
- 6-Amino-1,3-naphthalenedisulfonic acid
- IUPAC
- 6-aminonaphthalene-1,3-disulfonic acid
- English name
- 2-Naphthylamine-5,7-disulfonic acid
- Molecular formula
- C10H9NO6S2
- Molecular weight
- 303.31
Names & synonyms
118-33-26-Amino-1,3-naphthalenedisulfonic acid1,3-Naphthalenedisulfonic acid, 6-amino-6-Aminonaphthalene-1,3-disulphonic acidVP7LWM9S94NSC-41574-14-00-02811 (Beilstein Handbook Reference)DTXSID80594716-AMINO-3-SULFONAPHTHALENE-1-SULFONIC ACIDRefChem:104161DTXCID80334316-aminonaphthalene-1,3-disulfonic acid
Show more names
amino-iacidAMINO J-ACIDkyselinaamino-i2-Naphthylamin-5,7-disulfonsure2-naftylamin-5,7-disulfonansodny6-amino-1,3-naphthalenedisulfonic2-Naphthylamine-5,7-disulfonicaci6-amino-3-naphthalenedisulfonicacid2-Naphthylamine-5,7-disulfonicaacid
2-Aminonaphthalene-5,7-disulfonic acid2-NAPHTHYLAMINE-5,7-DISULFONIC ACIDKyselina amino-IAmino-I acidAmino-J acidAmino-J-acidMFCD000215132-Naftylamin-5,7-disulfonan sodny
Database identifiers
- CAS
118-33-2- PubChem CID
- 8356
- DTXSID
DTXSID8059471- UNII
- VP7LWM9S94
- EC Number
- 204-246-1
- Nikkaji
- J90.818E
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
LogP-1.6
Physicochemical properties
- Boiling point
- 568.34 ℃[at · 568.34℃[at 101 325 Pa]
- Density
- 1.769 · 1.769±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -0.91 · -0.91±0.40(Predicted)
- Appearance
- Brown to breen Solid
- Water Solubility
- 229 g/L · 229g/L at 15℃
- InChI
- InChI=1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
- InChIKey
- KZCSUEYBKAPKNH-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C=C(N)C=C2)=CC(S(O)(=O)=O)=C1
- LogP
- -1.85 · -1.85
- CAS DataBase Reference
- 118 · 118-33-2(CAS DataBase Reference)
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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: 6-aminonaphthalene-1,3-disulphonic acid (EC: 204-246-1)
6-amino-1,3-naphthalenedisulfonic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1759
- Toxicity
- rat,LD50,oral,2gm/kg (2000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1059, 1986.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 6-amino-: INACTIVE
Applications
Uses2-Naphthylamine-5,7-disulfonic acid is an intermediate for the preparation of J acid, bis-J acid, phenyl J acid and scarlet acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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