α-Brom-p-toluonitril

4-(BROMOMETHYL)BENZONITRILE · Para Cyano Benzyl Bromide · A-BROMO-P-TOLUNITRILE · 4CNBB · NSC 95792 · AKOS BC-3028 · 4-Cyanobenzyl · AKOS BBS-00003970

https://huagongshe.com/de/chemical/86996

Molekülstruktur von α-Brom-p-toluonitril

Identifikatoren & physikalische Daten

CAS No.	17201-43-3
Summenformel	C8H6BrN
Durchschnittliche Molmasse	196,04 g/mol
Monoisotopische Masse	194,96836 g/mol
SMILES	N#Cc1ccc(CBr)cc1
InChIKey	UMLFTCYAQPPZER-UHFFFAOYSA-N
PubChem CID	86996
EC No.	241-246-0
DTXSID	DTXSID40864744
Lokaler Name	α-Brom-p-toluonitril

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	139
Schmelzpunkt	115-117 °C(lit.)
Siedepunkt	143 °C / 12mmHg
Dichte	1.5466 (rough estimate)
Brechungsindex	1.6550 (estimate)
Lagerbedingungen	Inert atmosphere,2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)Soluble in chloroform and methanol. Insoluble in water.
Aggregatzustand	Liquid
Farbe	Clear colorless to yellow
BRN	636717
InChI	InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChIKey	UMLFTCYAQPPZER-UHFFFAOYSA-N
SMILES	C(#N)C1=CC=C(CBr)C=C1
CAS Datenbank	17201-43-3(CAS DataBase Reference)
NIST chemische Informationen	«ALPHA»-bromo-p-tolunitrile(17201-43-3)
EPA chemische Informationen	Benzonitrile, 4-(bromomethyl)- (17201-43-3)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (98.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (35.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H334 (88.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 85 reports by companies from 10 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	Benzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Corr. 1B (98.8%)Eye Dam. 1 (35.3%)Resp. Sens. 1 (88.2%)
F	10-19-21
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3261 8/PG 2
Zollcode	29269090
R-Sätze (R)	34-42/43
Gefahrensymbole	C
hazard_note	Corrosive
Sicherheitshinweise (S)	22-26-36/37/39-45-28A
Gefahrenklasse	8Resp. Sens. 1Skin Corr. 1B

Anwendungen & Verwendung

Verwenden

A benzyl halide as postemergence herbicides.