6-Hydroxychlorzoxazone
Grundinformationen
- CAS
1750-45-4- Standard-SMILES
O=c1[nH]c2cc(Cl)c(O)cc2o1- InChIKey
AGLXDWOTVQZHIQ-UHFFFAOYSA-N- Summenformel
- C7H4ClNO3
- Durchschnittliche Molmasse
- 185,56 g/mol
- Monoisotopische Masse
- 184,9879707
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxychlorzoxazone
- IUPAC
- 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
- Englischer Name
- 6-HYDROXYCHLORZOXAZONE
- Summenformel
- C7H4ClNO3
- Molmasse
- 185.56
Namen und Synonyme
6-Hydroxychlorzoxazone1750-45-42(3H)-Benzoxazolone, 5-chloro-6-hydroxy-5-Chloro-6-hydroxy-2-benzoxazolinone2-BENZOXAZOLINONE, 5-CHLORO-6-HYDROXY-M5YLT4Y73FDTXSID50169919NSC-24955RefChem:104765DTXCID90924106-hydroxy Chlorzoxazone5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one
Weitere Namen anzeigen
6-HYDROXY CHLORZOXAZONE-D25-CHLORO-6-HYDROXYBENZOXAZONE6-Hydroxy Chlorzoxazone-15N-d26 Hydroxy Chlorzoxazone 13C 15NChlorzoxazone 6-Hydroxy Impurity6-Hydroxychlorzoxazone >=98% (HPLC)
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-oneNSC 249555-Chloro-6-hydroxy-2(3H)-benzoxazolone5-chloro-6-hydroxy-1,3-benzoxazol-2(3h)-oneMFCD00143502BRN 09116742(3H)-Benzoxazolone,5-chloro-6-hydroxy-5-chloro-6-hydroxy-2-benzoxazolinon
Datenbank-Bezeichner
- CAS
1750-45-4- PubChem CID
- 2734
- DTXSID
DTXSID50169919- ChEMBL
CHEMBL3182250- ChEBI
CHEBI:184399- UNII
- M5YLT4Y73F
- EC Number
- 621-147-2
- Nikkaji
- J41.861G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 58,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 211
Physikochemische Eigenschaften
- Schmelzpunkt
- 240 · 240-242°C
- Dichte
- 1.649 · 1.649±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- methanol: soluble
- Aggregatzustand
- Solid
- pka
- 7.83 · 7.83±0.70(Predicted)
- Farbe
- white to pink
- InChI
- 1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
- InChIKey
- AGLXDWOTVQZHIQ-UHFFFAOYSA-N
- SMILES
- Oc1cc2OC(=O)Nc2cc1Cl
- CAS Datenbank
- 1750 · 1750-45-4
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29349990
- RTECS-Nr.
- DM5260000
- risk_code
- 36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xi,T,F
- safety_code
- 26-45-36/37-16-7
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites6-Hydroxychlorzoxazone is a known human metabolite of chlorzoxazone.
Tissue LocationsKidney；Liver
Cellular LocationsCytoplasm；Membrane
Anwendungen
Verwenden6-Hydroxychlorzoxazone has been used for HPLC-based metabolic assays of chlorzoxazone.
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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hebei shuoxi biotechnology co. LTD
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