2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one

BUTTPARK 45\07-51 · 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one · 1-Methyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide · 1H-2,1-Benzothiazin-4(3H)-one,1-methyl-, 2,2-dioxide · 1-Methyl-1H-benzo[c][1,2]thiazin-4(3H)-one 2,2-dioxide · 3,4-Dihydro-1-methyl-2,2,4-trioxo-1H-2,1-benzothiazine · 3,4-DIHYDRO-1-METHYL-2,2,4-TRIOXOBENZO(C)-2,1-THIAZINE · 1-METHYL-1,2,3,4-TETRAHYDRO-2LAMBDA6,1-BENZOTHIAZINE-2,2,4-TRIONE

https://huagongshe.com/de/chemical/2737513

Molekülstruktur von 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one

Identifikatoren & physikalische Daten

CAS No.	7117-31-9
Summenformel	C9H9NO3S
Durchschnittliche Molmasse	211,24 g/mol
Monoisotopische Masse	211,03031432 g/mol
SMILES	CN1c2ccccc2C(=O)CS1(=O)=O
InChIKey	SLAAUAZTLUBBDB-UHFFFAOYSA-N
PubChem CID	2737513
EC No.	672-815-5
DTXSID	DTXSID90372102

Chemische & physikalische Eigenschaften

XLogP	0,7
Polarare Oberfläche (TPSA)	62,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	344
Schmelzpunkt	117-118 °C
Siedepunkt	379.3±45.0 °C(Predicted)
Dichte	1.404±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	-4.32±0.20(Predicted)
Aggregatzustand	crystalline powder
Farbe	Faint yellow

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2934999090
R-Sätze (R)	22
Gefahrensymbole	Xi,Xn
hazard_note	Irritant