4-Bromomethyl benzoyl bromide

4-Bromomethyl benzoyl bromide 96 · Benzoyl bromide, 4-(bromomethyl)- · 4-Bromomethyl benzoyl bromide 96%

https://huagongshe.com/de/chemical/4640671

Molekülstruktur von 4-Bromomethyl benzoyl bromide

Identifikatoren & physikalische Daten

CAS No.	876-07-3
Summenformel	C8H6Br2O
Durchschnittliche Molmasse	277,94 g/mol
Monoisotopische Masse	275,87853901 g/mol
SMILES	O=C(Br)c1ccc(CBr)cc1
InChIKey	VUYGJYAPDGKPBF-UHFFFAOYSA-N
PubChem CID	4640671
EC No.	627-805-5
DTXSID	DTXSID60405113

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	139
Schmelzpunkt	57-61 °C (lit.)
Siedepunkt	100-112 °C/0.5 mmHg (lit.)
Aggregatzustand	Fused Solid
Farbe	White
InChI	1S/C8H6Br2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
InChIKey	VUYGJYAPDGKPBF-UHFFFAOYSA-N
SMILES	BrCc1ccc(cc1)C(Br)=O

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Corr. 1A (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3261 8/PG 2
R-Sätze (R)	35
Gefahrensymbole	C
Sicherheitshinweise (S)	26-27-36/37/39
Gefahrenklasse	8Eye Dam. 1Skin Corr. 1A
Lagerklasse	8A - Combustible corrosive hazardous materials

Anwendungen & Verwendung

Verwenden

4-Bromomethyl benzoyl bromide may be used in the preparation of 4-(bromomethyl)-N-[(S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]benzamide and α-methoxy-ω-4-(bromomethyl) benzoic acid ester-poly(ethylene glycol) 2000.