2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
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Grundinformationen
- CAS
39522-26-4- Standard-SMILES
Cc1ccc2c(c1)NC(=O)CO2- InChIKey
JSBZPNRRLJLZBE-UHFFFAOYSA-N- Summenformel
- C9H9NO2
- Durchschnittliche Molmasse
- 163,17 g/mol
- Monoisotopische Masse
- 163,06332853
Namen und Bezeichner
- Bevorzugter Name
- 2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
- IUPAC
- 6-methyl-4H-1,4-benzoxazin-3-one
- Englischer Name
- 6-Methyl-2H-1,4-benzoxazin-3(4H)-one
- Summenformel
- C9H9NO2
- Molmasse
- 163.17
Namen und Synonyme
39522-26-46-Methyl-2H-1,4-benzoxazine-3(4H)-one2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-DTXSID201926536-Methyl-2H-1,4-benzoxazin-3(4H)-one, 98%RefChem:484119DTXCID60115144623-787-86-Methyl-2H-1,4-benzoxazin-3(4H)-one6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one6-methyl-4H-1,4-benzoxazin-3-oneMFCD01321311
Weitere Namen anzeigen
6-Methyl-2H<BUTTPARK 35\07-226 methyl -4H Benzo(1,4)oxazin -3-one2H-1,4-Benzoxazin-3(4H)-one, 6-methyl-6-Methyl-2H-1,4-benzoxazin-3(4H)-one 98%6-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, 98 %
6-METHYL-4H-BENZO[1,4]OXAZIN-3-ONE6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONECHEMBL4856916-methyl-2,4-dihydro-1,4-benzoxazin-3-oneSTK317994CCG-321495CS-0085207F87920
Datenbank-Bezeichner
- CAS
39522-26-4- PubChem CID
- 2763839
- DTXSID
DTXSID20192653
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 193
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 · 207-209 °C(lit.)
- Siedepunkt
- 340.8 · 340.8±41.0 °C(Predicted)
- Dichte
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Aggregatzustand
- solid
- pka
- 12.78 · 12.78±0.20(Predicted)
- InChI
- 1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
- InChIKey
- JSBZPNRRLJLZBE-UHFFFAOYSA-N
- SMILES
- Cc1ccc2OCC(=O)Nc2c1
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 39 reports by companies from 2 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
- 3
- hs_code
- 2934999090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter38 Anbieter
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
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