Methyl 5-bromo-2-methylbenzoate

Methyl 5-bromo-2-methylbenzoate · Methyl 2-Methyl-5-Bromobenzoate · 5-bromo-2-methyl-benzoic acid methyl ester · methyl 5-bromo-2-met · Methyl 5-bromo-o-toluate · 5-Bromo-o-toluic Acid Methyl Ester · Methyl5-bromo-2-methylbenzoate,98% · Methyl 5-Bromo-2-methylbenzoate >Benzoic acid, 5-bromo-2-methyl-, methyl ester

https://huagongshe.com/de/chemical/316201

Molekülstruktur von Methyl 5-bromo-2-methylbenzoate

Identifikatoren & physikalische Daten

CAS No.	79669-50-4
Summenformel	C9H9BrO2
Durchschnittliche Molmasse	229,07 g/mol
Monoisotopische Masse	227,97859163 g/mol
SMILES	COC(=O)c1cc(Br)ccc1C
InChIKey	FDCYLMYCHALQJR-UHFFFAOYSA-N
PubChem CID	316201
EC No.	800-966-0
DTXSID	DTXSID20311504

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	170
Schmelzpunkt	46.0 to 50.0 °C
Siedepunkt	265°C(lit.)
Dichte	1.433±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	Powder
Farbe	Pale yellow
Löslichkeit	Soluble in water.
InChI	InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey	FDCYLMYCHALQJR-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC(Br)=CC=C1C

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)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2916310090
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

Methyl 5-bromo-2-methylbenzoate is used as a catalytic agent, petrochemical additive