Encyclopedia / Others

Naphthalenesulfonic acids

CAS：68153-01-5
MW:208.24
MF：C10H8O3S

Production of naphthol.

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Naphthalenesulfonic acids

1.2 Synonyms: Einecs 268-860-1; Naphthalene, sulfonated; NAPHTHALENE-SULPHONICACIDS; Naphtholsulfonic acids; Nekal; Nekals;

1.3 CAS No.: 68153-01-5

1.4 CID: 6812

1.5 EINECS: 246-676-2; 201-610-1; 268-860-1

1.6 Molecular Formula: C10H8O3S

1.7 Inchi: InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)

1.8 InChkey: PSZYNBSKGUBXEH-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

1.10 Isomers Smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

2. Properties

2.1 Appearance: grey fine crystalline powder

2.2 Water Solubility: freely soluble in water

2.3 Stability: Stable under normal temperatures and pressures.

2.4 StorageTemp: Keep container closed when not in use. Corrosives area. Store in a cool, dry area away from incompatible substances.

3. Use and Manufacturing

3.1 Usage: Production of naphthol.

4. Safety and Handling

4.1 Safety: Safety Information of 1-Naphthalenesulfonic acid (CAS NO.85-47-2):
Hazard Codes: C,F
Risk Statements: 34-11
11: Highly Flammable
34: Causes burns
Safety Statements: 26-36/37/39-45-28-16
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

View all

4.2 Toxicity

Product Name: 1-Naphthalenesulfonic acid (CAS NO.85-47-2)

Molecular Formula: C₁₀H₈O₃S
Molecular Weight: 208.23g/mol
Mol File: 85-47-2.mol
Einecs: 201-610-1
Melting Point: 77-79 °C(lit.)
Density: 1.423 g/cm³
Water Solubility: freely soluble
Product Categories: Intermediates of Dyes and Pigments ; Organic Building Blocks ; Sulfonic/Sulfinic Acids ; Sulfur Compounds
Synonyms of 1-Naphthalenesulfonic acid (CAS NO.85-47-2): 1-Naphthyl sulfonic acid ; Sulfonated naphthalene ; Naphthalene-1-sulfonic acid ; Alpha napthalene sulphonate ; Alpha-naphthalenesulfonic acid ; 1-Naphthalenesulfonic acid ; 1-Naphthalenesulfonic acid, dihydrate ; Naphthalene-1-sulfonic acid dihydrate .

View all

5. Computed Properties

Molecular Weight：208.24g/mol
Molecular Formula：C₁₀H₈O₃S
Compound Is Canonicalized：True
Exact Mass：1.9
XLogP3-AA：208.01941529
Monoisotopic Mass：208.01941529
Complexity：291
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：62.8
Heavy Atom Count：：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGAQACAAADACAWAAwAcAAAIKAAiBCAHBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgIAOgAAAgAAUAAAAAAEAACgAAAAAAAAAAA==

6. Toltal 1 Suppliers View more

Sodium Solutions Inc.

Tel: Update Time:2019/02/22

inquire

7. Realated Product Infomation