α-Brom-p-toluonitril

4-(Bromomethyl)benzonitrile

HCID 86996CAS 17201-43-3
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Grundinformationen

Standard-SMILES
N#Cc1ccc(CBr)cc1
InChIKey
UMLFTCYAQPPZER-UHFFFAOYSA-N
Summenformel
C8H6BrN
Durchschnittliche Molmasse
196,04 g/mol
Monoisotopische Masse
194,96836

Namen und Bezeichner

Bevorzugter Name
4-(Bromomethyl)benzonitrile
IUPAC
4-(bromomethyl)benzonitrile
Lokaler Name
α-Brom-p-toluonitril
Englischer Name
4-Cyanobenzyl bromide
Summenformel
C8H6BrN
Molmasse
196.04

Namen und Synonyme

4-Cyanobenzyl bromide17201-43-34-(Bromomethyl)benzonitrilep-Cyanobenzyl bromideBenzonitrile, 4-(bromomethyl)-alpha-Bromo-p-tolunitrilep-(Bromomethyl)benzonitrileBenzonitrile, p-(bromomethyl)-p-Tolunitrile, alpha-bromo-NSC 95792p-Toluonitrile, alpha-bromo-RV332B84ZG
Weitere Namen anzeigen
Para Cyano Benzyl BromideA-BROMO-P-TOLUNITRILE4CNBBAKOS BC-30284-CyanobenzylAKOS BBS-000039704-Cyanobezyl Bromide4-Cynobenzyl bromide
EINECS 241-246-0NSC-95792DTXSID40864744RefChem:515417DTXCID90813227InChI=1/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H4-bromomethylbenzonitrile4-Bromomethyl-benzonitrile

Datenbank-Bezeichner

CAS
17201-43-3
PubChem CID
86996
DTXSID
DTXSID40864744
UNII
RV332B84ZG
EC Number
241-246-0
Nikkaji
J266.795I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
115 · 115-117 °C(lit.)
Siedepunkt
143 °C · 143 °C / 12mmHg
Dichte
1.5466 · 1.5466 (rough estimate)
Brechungsindex
1.655 · 1.6550 (estimate)
storage temp.
2 · Inert atmosphere,2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (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.

Gefahrenhinweise

Regulatory InformationBenzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (98.8%)；Eye Dam. 1 (35.3%)；Resp. Sens. 1 (88.2%)

Regulatorische Informationen

Regulatory InformationBenzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
10-19-21
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29269090
risk_code
34-42/43

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzonitrile, 4-(bromomethyl)-: ACTIVE

Anwendungen

VerwendenA benzyl halide as postemergence herbicides.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
常熟市海天医药原料有限公司13913622609

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