2,3,5-Trichlorobenzoic acid
Grundinformationen
- CAS
50-73-7- Standard-SMILES
O=C(O)c1cc(Cl)cc(Cl)c1Cl- InChIKey
CGFDSIZRJWMQPP-UHFFFAOYSA-N- Summenformel
- C7H3Cl3O2
- Durchschnittliche Molmasse
- 225,5 g/mol
- Monoisotopische Masse
- 223,91986238
Überblick
2,3,5-trichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2,3 and 5 are substituted by chloro groups. It has a role as a bacterial xenobiotic metabolite. It is a chlorobenzoic acid and a trichlorobenzene. It is a conjugate acid of a 2,3,5-trichlorobenzoate.
Namen und Bezeichner
- Bevorzugter Name
- 2,3,5-Trichlorobenzoic acid
- IUPAC
- 2,3,5-trichlorobenzoic acid
- Englischer Name
- 2,3,5-Trichlorobenzoic acid
- Summenformel
- C7H3Cl3O2
- Molmasse
- 225.46
Namen und Synonyme
2,3,5-Trichlorobenzoic acid50-73-7Benzoic acid, 2,3,5-trichloro-BRN 2097064AI3-33272DTXSID8074285CHEBI:166848RefChem:441825DTXCID9040766623-514-2MFCD000606742,3,5-Trichlorobenzoicacid
Weitere Namen anzeigen
2,3,5-TBATIMTEC-BB SBB003322RARECHEM AL BE 02002,3,5-Trichlorobenzoic2,3,5-trichloro-benzoicaci2,3,5-Trichlorobenzoic acid,97%
2,3,5(or 2,3,6)-Trichlorobenzoic acidBenzoic acid, 2,3,5(or 2,3,6)-trichloro-8003-94-92,3,5-trichlorobenzoateIxazomib Impurity 312,3,5-Trichlor-benzoesaH2R7UAW69W2,3,5-Trichlor-benzoesaure
Datenbank-Bezeichner
- CAS
50-73-7、8003-94-9- PubChem CID
- 66121
- DTXSID
DTXSID8074285- ChEMBL
CHEMBL566988- ChEBI
CHEBI:166848- UNII
- H2R7UAW69W
- EC Number
- 623-514-2
- Nikkaji
- J55.469C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 185
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 · 166-167 °C (lit.)
- Siedepunkt
- 329.4 · 329.4±37.0 °C(Predicted)
- Dichte
- 1.5599 · 1.5599 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Acetonitrile (Slightly), DMSO (Slightly)
- pka
- 2.09 · 2.09±0.25(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Pale Brown
- BRN
- 2097064 · 2097064
- InChI
- 1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
- InChIKey
- CGFDSIZRJWMQPP-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc(Cl)cc(Cl)c1Cl
- CAS Datenbank
- 50 · 50-73-7(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2,3,5-Trichlorobenzoic acid (50-73-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.8% (3 of 44) of reports.
Warning
H315 (93.2%): 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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29163990
- RTECS-Nr.
- DH7525000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 2,3,5-trichloro-: ACTIVE
Anwendungen
Verwenden2,3,5-Trichlorobenzoic Acid enhances dechlorination of congeners in Aroclor 1248.
Anbieter100 Anbieter
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