1-Naphthalenesulfonic acid

HCID 6812

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 25155-19-5
Standard SMILES: O=S(=O)(O)c1cccc2ccccc12
InChIKey: PSZYNBSKGUBXEH-UHFFFAOYSA-N
Molecular formula: C10H8O3S
Average molar mass: 208.24 g/mol
Monoisotopic mass: 208.01941512

Overview

Naphthalene-1-sulfonic acid is a naphthalenesulfonic acid.

Names & identifiers

Preferred name: 1-Naphthalenesulfonic acid
IUPAC: naphthalene-1-sulfonic acid
English name: naphthalenesulphonic acid
Molecular formula: C10H8O3S
Molecular weight: 208.23372

Names & synonyms

1-NAPHTHALENESULFONIC ACID85-47-2naphthalene-1-sulfonic acidalpha-Naphthalenesulfonic acid0SJH61WM2JDTXSID70480331-naphthalenemonosulfonateHT-907CHEBI:30895RefChem:76474DTXCID209777201-610-1

Show more names

Einecs 246-676-2naphthalenesulphonic acid

Naphthalene-1-sulphonic acidnaphthalenesulfonic acidUNII-0SJH61WM2J25155-19-5MFCD00003987.alpha.-Naphthalenesulfonic acidnaphthalene sulfonic acid1-Naphthalenesulfonic acid, >50%

Database identifiers

CAS: 25155-19-5、85-47-2
PubChem CID: 6812
DTXSID: DTXSID7048033
ChEMBL: CHEMBL1160029
ChEBI: CHEBI:30895
UNII: 0SJH61WM2J
EC Number: 201-610-1、246-676-2
Nikkaji: J124.113C

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 291

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Naphthalenes

Industrial compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionSolid; [Merck Index] Grey powder; [Acros Organics MSDS]

Ionization Efficiency · 6 items

Negative

1.6

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

Collision Cross Section141.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3042394]

Physicochemical properties

Indirect Additives used in Food Contact Substances: NAPHTHALENE, MONOSULFONATED
FDA 21 CFR: 175.105 · 175.105; 177.1210
FDA UNII: 67 VII75 · VZW67VII75
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H314-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
RIDADR: 2585 · 2585
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 57.8% (155 of 268) of all reports.

Danger

H302 (39.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 268 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 4.4% (2 of 45) of reports.

Hazard information

Regulatory Information · 3 items

Chemical: Naphthalenesulfonic acid

Naphthalenesulfonic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

1-Naphthalenesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Naphthalene.

Hazard Classes and Categories · 2 items

Acute Tox. 4 (39.9%)

Skin Corr. 1B (95.6%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

ridadr: 2585
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_class: 8
packing_group: III
Hazard statements: H318-H314-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501