3-(Bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-one

3-(bromomethyl)-1-methylquinoxalin-2(1H)-one · 2(1H)-Quinoxalinone,3-(bromomethyl)-1-methyl- · 3-(bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-one

https://huagongshe.com/de/chemical/252887

Molekülstruktur von 3-(Bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-one

Identifikatoren & physikalische Daten

CAS No.	1501-41-3
Summenformel	C10H9BrN2O
Durchschnittliche Molmasse	253,09 g/mol
Monoisotopische Masse	251,98983 g/mol
SMILES	Cn1c(=O)c(CBr)nc2ccccc21
InChIKey	UADIEAODWPWLFL-UHFFFAOYSA-N
PubChem CID	252887
EC No.	972-743-7
DTXSID	DTXSID50933874

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	32,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	277
Schmelzpunkt	193 °C (decomp)
Siedepunkt	350.4±44.0 °C(Predicted)
Dichte	1.57±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	-0.85±0.70(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)