Basic information
- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)ccc2c1- InChIKey
SEMRCUIXRUXGJX-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031415
Overview
6-aminonaphthalene-2-sulfonic acid is an aminonaphthalenesulfonic acid.
Names & identifiers
- Preferred name
- 6-Amino-2-naphthalenesulfonic acid
- IUPAC
- 6-aminonaphthalene-2-sulfonic acid
- English name
- 6-Amino-2-naphthalenesulfonic acid
- Molecular formula
- C10H9NO3S
- Molecular weight
- 223.25
Names & synonyms
6-Aminonaphthalene-2-sulfonic acid93-00-56-AMINO-2-NAPHTHALENESULFONIC ACIDBronner's acid2-Amino-6-sulfonaphthalene2-Amino-6-naphthylsulfonic acidPontamine Fast Scarlet 4BA6-Naphthylamine-2-sulphonic acid2-Amino-6-naphthalenesulfonic acidDTXSID40447438K80BTS68ADTXCID2024743
Show more names
BROENNERS ACIDBroener AcidBronnes'acidBroenner acidBROENNER'SACIDBROENNEER'S ACID6-AMino-2-naphthalen
CHEBI:20700RefChem:5403606-ANSBroenner's acid2-Naphthylamine-6-sulfonic acidBronner acid6-Amino-2-naphthalenesulfonicacid6-Aminonaphthalene-2-sulphonic acid
Database identifiers
- CAS
52365-47-6、93-00-5- PubChem CID
- 7116
- DTXSID
DTXSID4044743- ChEMBL
CHEMBL3187325- ChEBI
CHEBI:20700- UNII
- 8K80BTS68A
- EC Number
- 202-208-9、257-879-0
- Nikkaji
- J4.665E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Physical DescriptionDry Powder
Collision Cross Section150.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4044743]
Physicochemical properties
- Density
- 1.3588 · 1.3588 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- -0.08 · -0.08±0.40(Predicted)
- color
- White to Light yellow to Light orange
- Water Solubility
- 0.12 g/L · 0.12g/L(20 ºC)
- InChI
- InChI=1S/C10H9NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H,11H2,(H,12,13,14)
- InChIKey
- SEMRCUIXRUXGJX-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(N)C=C2)=CC=C1S(O)(=O)=O
- LogP
- 0.603 at · 0.603 at 25℃
- CAS DataBase Reference
- 93 · 93-00-5(CAS DataBase Reference)
- FDA UNII
- 8 K80BTS68A · 8K80BTS68A
- EPA Substance Registry System
- 6 · 6-Amino-2-naphthalenesulfonic acid (93-00-5)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P280
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HS Code
- 2930909899 · 2930909899
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 75.3% (134 of 178) of all reports.
Warning
H317 (24.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 178 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
2-Naphthalenesulfonic acid, 6-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 6-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17734
Hazard Classes and CategoriesSkin Sens. 1 (24.7%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P280
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 22,983 lb
Industry UsesIntermediate
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Naphthalenesulfonic acid, 6-amino-: ACTIVE
Applications
Description2-Aminonaphthalene-6-sulfonic acid [93- 00-5]. (6-aminonaphthalene-2-sulfonic acid), Bronner acid, C10H9NO3S, Mr 223.24, crystallizes from water as the monohydrate in plates although only 0.2 % soluble at 100℃. Sulfonation with 20 % oleum at 20℃ gives a mixture of 1,6- and 6,8-disulfonic acids.
Uses6-Amino-2-naphthalenesulfonic Acid is used in the synthesis of diaryl urea derivatives bearing sulfonamide moiety with an in vitro antitumor activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: 6-aminonaphthalene-2-sulfonic acid is an aminonaphthalenesulfonic acid.
Related reactions
18 records
Linked notes
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