CAS 320-72-9 3,5-Dichlorosalicylic acid (HCID 9445)

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Grundinformationen

CAS: 320-72-9
Standard-SMILES: O=C(O)c1cc(Cl)cc(Cl)c1O
InChIKey: CNJGWCQEGROXEE-UHFFFAOYSA-N
Summenformel: C7H4Cl2O3
Durchschnittliche Molmasse: 207,01 g/mol
Monoisotopische Masse: 205,95374935

Überblick

3,5-Dichlorosalicylicacid is a chlorobenzoic acid.

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichlorosalicylic acid
IUPAC: 3,5-dichloro-2-hydroxybenzoic acid
Lokaler Name: 3,5-Dichlorsalicylsure
Englischer Name: 3,5-Dichlorosalicylic acid
Summenformel: C7H4Cl2O3
Molmasse: 207.01

Namen und Synonyme

3,5-DICHLOROSALICYLIC ACID3,5-Dichloro-2-hydroxybenzoic acid320-72-9Benzoic acid, 3,5-dichloro-2-hydroxy-2-Hydroxy-3,5-dichlorobenzoic acidSalicylic acid, 3,5-dichloro-USAF DO-683,5-Dichlorosalicyclic acidDTXSID3044914O6PXR32G3VNSC-30109DTXCID1024914

Weitere Namen anzeigen

usafdo-68TIMTEC-BB SBB003480RARECHEM AL BE 00323,5-Dichlorosalicyli3,5-dichloro-salicylicaci3,5-DICHLOROSSALICYLICACID3,5-Dichlorosa licglic acid

beta-CDP-3RefChem:486779206-281-8MFCD000024423,5-Dichlorosalicylicacid3,5-dichloro-2-hydroxy-benzoic acidCHEMBL44912935-Dichloro-2-hydroxybenzoic acid

Datenbank-Bezeichner

CAS: 320-72-9
PubChem CID: 9445
DTXSID: DTXSID3044914

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 185

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

Color/FormNEEDLES FROM DIL ALC, RHOMBIC PRISMS

SolubilitySLIGHTLY SOL IN HOT WATER; VERY SOL IN ALCOHOL; SOL IN ETHER

Boiling PointBP: SUBLIMES, SLIGHT DECOMP

Melting Point220-221 °C

Physical DescriptionSolid; [HSDB] Crystalline powder; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 220 · 220-222 °C (lit.)
Siedepunkt: 297.29 °C · 297.29°C (rough estimate)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (58.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 182 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationT - indicates a substance that is the subject of a final TSCA section 4 test rule.

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (58.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29182900
RTECS-Nr.: VO2450000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 320-72-9(Hazardous Substances Data)
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 3,5-dichloro-2-hydroxy-: ACTIVE

Anwendungen

Verwenden3,5-Dichlorosalicylic acid is a bio-active drug and is a potential inhibitor of human 20α-hydroxysteroid dehydrogenase. It also finds its application as medicine and dyes intermediates.