2-Mercaptobenzoesure

2-Mercaptobenzoic Acid

HCID 5443CAS 147-93-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C(O)c1ccccc1S
InChIKey
NBOMNTLFRHMDEZ-UHFFFAOYSA-N
Summenformel
C7H6O2S
Durchschnittliche Molmasse
154,19 g/mol
Monoisotopische Masse
154,00885043

Überblick

Thiosalicylic acid is a sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. It has a role as a non-narcotic analgesic and an antipyretic. It is a conjugate acid of a thiosalicylate(1-).

Namen und Bezeichner

Bevorzugter Name
2-Mercaptobenzoic Acid
IUPAC
2-sulfanylbenzoic acid
Lokaler Name
2-Mercaptobenzoesure
Englischer Name
Thiosalicylic acid
Summenformel
C7H6O2S
Molmasse
154.19

Namen und Synonyme

Thiosalicylic acid2-Mercaptobenzoic acid147-93-32-Sulfanylbenzoic acido-Mercaptobenzoic acid2-Thiosalicylic acido-Thiosalicylic acid2-Carboxythiophenolo-Sulfhydrylbenzoic acido-Benzoic acid thiolo-CarboxythiophenolBenzoic acid, 2-mercapto-
Weitere Namen anzeigen
Thiosalicylic2-Thiobenzoic acidTHIOSALYCYLIC ACIDicyiLusafkf-2NSC 2184NSC 6664
o-MercaptobenzoesaeureSalicylic acid, 2-thio-BENZOIC ACID, O-MERCAPTO-Thiophenol-2-carboxylic acidCIP6LXN5XWDTXSID4049032NSC-2184NSC-660640

Datenbank-Bezeichner

CAS
147-93-3
PubChem CID
5443
DTXSID
DTXSID4049032
ChEMBL
CHEMBL119888
ChEBI
CHEBI:59124
UNII
CIP6LXN5XW
EC Number
205-704-3
Nikkaji
J5.842D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
38,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsAntioxidant; Keratolytic; Reducing
SpringerMaterials PropertiesChemical shift
Color/Form · 3 Einträge

SULFUR-YELLOW FLAKES, PLATES, NEEDLES FROM GLACIAL ACETIC ACID OR ALCOHOL

LEAVES OR NEEDLES FROM WATER

CRYSTALS /SODIUM SALT/

Solubility · 2 Einträge

SOL IN WATER /SODIUM SALT/

SOL IN HOT WATER, ALCOHOL, ETHER, ACETIC ACID; SLIGHTLY SOLUBLE IN PETROLEUM ETHER

Physikochemische Eigenschaften

Schmelzpunkt
162 · 162-165 °C (lit.)
Siedepunkt
247.55 °C · 247.55°C (rough estimate)
Dichte
1.49 · 1.49
Brechungsindex
1.51 · 1.5100 (estimate)
Flammpunkt
150 °C · 150 °C
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzoic acid, 2-mercapto-

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.16 [mg/m3]

1.8 [mg/m3]

11 [mg/m3]

Toxikologische Informationen

Non-Human Toxicity ExcerptsUNCOUPLING OF OXIDATIVE PHOSPHORYLATION IN RAT LIVER MITOCHONDRIA WAS INVESTIGATED WITH THIO ANALOGS OF SALICYLIC ACID. SIGNIFICANT ACTIVITY WAS OBSERVED.

Sicherheitsdaten

F
9-23
wgk
3
tsca
TSCA listed
hs_code
29309070
RTECS-Nr.
DH3325000
risk_code
36/37/38-20/21/22

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationA subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.

Verwendung und Herstellung

Uses · 3 Einträge

Used in the manufacture of thioindigo dyes and other chemicals and as a reagent for determination of iron; [HSDB]

MANUFACTURE OF THIOINDIGO DYES, REAGENT FOR DETERMINATION OF IRON

AS INTERMEDIATE

Methods of Manufacturing · 1 Eintrag

PREPARED BY HEATING O-HALOGENATED BENZOIC ACIDS WITH ALKALINE HYDROSULFIDE IN PRESENCE OF COPPER; GERMAN PATENT 189,200 (1906); BY REDUCTION OF DITHIOSALICYLIC ACID: CLAASZ; BER 45, 2427 (1912); GERMAN PATENT 205,450; ALLEN, MACKAY, ORG SYN 12, 76 (1932).

Formulations/PreparationsGRADES: REAGENT; TECHNICAL, 80%; PHARMACEUTICAL.
Use ClassificationCosmetics -> Antioxidant; Keratolytic; Reducing
General Manufacturing InformationBenzoic acid, 2-mercapto-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenThiosalicylic acid acts as a trapping agent, which is useful in the desulfenylation of 3-indolyl sulfides. It is used to prepare macrocyclic diamides by condensation with diamines. Further, it is used as a precursor to drug, which finds application for the treatment of atherosclerosis and melanoma. In addition to this, it is involved in the preparation of vaccine preservative thiomersal and thioindigo dyestuff.

Darstellung · 1 Eintrag

synthetischeThiosalicylic acid can be prepared from anthranilic acid via diazotization followed by the addition of sodium sulfide and then reduction with zinc. It can also prepared by heating o-halogenated benzoic acids with alkaline hydrosulfide in presence of copper.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Thiosalicylic acid is a sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. It has a role as a non-narcotic analgesic and an antipyretic. It is a conjugate acid of a thiosalicylate(1-).

Zugehörige Reaktionen

162
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…