Grundinformationen
- Standard-SMILES
O=C(O)c1c(Cl)ccc(Cl)c1O- InChIKey
FKIKPQHMWFZFEB-UHFFFAOYSA-N- Summenformel
- C7H4Cl2O3
- Durchschnittliche Molmasse
- 207,01 g/mol
- Monoisotopische Masse
- 205,95374935
Überblick
structure; RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- 3,6-Dichlorosalicylic acid
- IUPAC
- 3,6-dichloro-2-hydroxybenzoic acid
- Lokaler Name
- 3,6-Dichlorsalicylsure
- Englischer Name
- 3,6-DICHLORO-2-HYDROXY BENZOIC ACID
- Summenformel
- C7H4Cl2O3
- Molmasse
- 207.01
Namen und Synonyme
3,6-Dichloro-2-hydroxybenzoic acid3401-80-73,6-DICHLOROSALICYLIC ACID2-Hydroxy-3,6-dichlorobenzoic acid2-Oxy-3,6-dichlorobenzoic acid4YBF44H2O7DTXSID90416573,6-DCSA cpdRefChem:487540DTXCID7021657222-275-83,6-Dichloro-2-hydroxy benzoic acid
Weitere Namen anzeigen
AKOS BBS-00006746Dicamba metaboliteOTAVA-BB BB7020410042Dichlorosalicylicacid3,6-dichloro-salicylicaciC12260300 Dicamba-desmethyl3,6-dichloro-2-hydroxybenzoicaci6-Dichloro-2-hydroxy benzoic acid
Benzoic acid, 3,6-dichloro-2-hydroxy-MFCD00155381Dicamba-desmethylCHEMBL1233461DCSA3,6-Dichloro-2-hydroxy-benzoic acidBRN 2938787EINECS 222-275-8
Datenbank-Bezeichner
- CAS
3401-80-7- PubChem CID
- 18844
- DTXSID
DTXSID9041657- ChEMBL
CHEMBL1233461- UNII
- 4YBF44H2O7
- EC Number
- 222-275-8
- Nikkaji
- J205.507D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 185
Experimentelle und physikochemische Eigenschaften
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 ℃ · approximate 195℃ (dec.)
- Siedepunkt
- 297.29 °C · 297.29°C (rough estimate)
- Dichte
- 1.5281 · 1.5281 (rough estimate)
- Brechungsindex
- 1.4845 · 1.4845 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Soluble), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 1.99 · 1.99±0.25(Predicted)
- Farbe
- White to Off-White
- Henry's Law Constant
- 1.3 · 1.3×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- CAS Datenbank
- 3401 · 3401-80-7(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Benzoic acid, 3,6-dichloro-2-hydroxy- (3401-80-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H412 (99.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 135 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAquatic Chronic 3 (99.3%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2918290000
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzoic acid, 3,6-dichloro-2-hydroxy-: ACTIVE
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