α-Brom-2,3,4,5,6-pentafluortoluol

PENTAFLUOROBENZYL BROMIDE · 2,3,4,5,6-PENTAFLUOROBENZYL BROMIDE · PFBBR · Pentafluorobenzylbromide99% · PentafluorobenzylBromide>Pentafluorobenzylbromide,98+% · Pentafluorobenzyl bromide 99% · PENTAFLUOROBROMOMETHYL BENZENE · (BROMOMETHYL)PENTAFLUOROBENZENE

https://huagongshe.com/de/chemical/74484

Molekülstruktur von α-Brom-2,3,4,5,6-pentafluortoluol

Identifikatoren & physikalische Daten

CAS No.	1765-40-8
Summenformel	C7H2BrF5
Durchschnittliche Molmasse	260,99 g/mol
Monoisotopische Masse	259,926 g/mol
SMILES	Fc1c(F)c(F)c(CBr)c(F)c1F
InChIKey	XDEPVFFKOVDUNO-UHFFFAOYSA-N
PubChem CID	74484
ChEBI	CHEBI:192780
EC No.	217-182-4
DTXSID	DTXSID50170146
Lokaler Name	α-Brom-2,3,4,5,6-pentafluortoluol

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	162
Physical Description	Colorless liquidmp = 18-20 deg C[Alfa Aesar MSDS]
Kovats Retention Index	991
Schmelzpunkt	19-20 °C(lit.)
Siedepunkt	174-175 °C(lit.)
Dichte	1.728 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.471(lit.)
Flammpunkt	181 °F
Lagerbedingungen	Store below +30°C.
Löslichkeit	Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)Hydrolyzes in water.
Aggregatzustand	Liquid
Wichte	1.728
Farbe	Clear colorless to yellow
BRN	647808
InChI	1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKey	XDEPVFFKOVDUNO-UHFFFAOYSA-N
SMILES	Fc1c(F)c(F)c(CBr)c(F)c1F
CAS Datenbank	1765-40-8(CAS DataBase Reference)
NIST chemische Informationen	Benzene, (bromomethyl)pentafluoro-(1765-40-8)

Sicherheit & Vorschriften

UN-Transportnummer
GHS-Einstufung	DangerH314 (96.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (12.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 9 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.
Regulatorische Informationen	Chemical: Benzene, (bromomethyl)pentafluoro-2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Hydrolyzed by waterCauses burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Hexafluorobenzene.
Hazard Classes and Categories	Skin Corr. 1B (96.4%)Eye Irrit. 2 (12.7%)STOT SE 3 (12.7%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
F	19
Wassergefährdungsklasse (WGK)	3

Anwendungen & Verwendung

Verwenden

Pentafluorobenzyl bromide (PFB-Br) is an alkylating reagent which can be used to modify hydroxyl groups, carboxyl groups, sulfhydryl groups, and amines.PFB-Br can also be used to measure nitrite and peroxynitrite.It is a versatile reagent.