4-Chlorbenzonitril

4-Chlorobenzonitrile

HCID 12163CAS 623-03-0
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Grundinformationen

Standard-SMILES
N#Cc1ccc(Cl)cc1
InChIKey
GJNGXPDXRVXSEH-UHFFFAOYSA-N
Summenformel
C7H4ClN
Durchschnittliche Molmasse
137,56 g/mol
Monoisotopische Masse
137,00322681

Überblick

4-Chlorobenzonitrile is a nitrile and a member of benzenes.

Namen und Bezeichner

Bevorzugter Name
4-Chlorobenzonitrile
IUPAC
4-chlorobenzonitrile
Lokaler Name
4-Chlorbenzonitril
Englischer Name
4-Chlorobenzonitrile
Summenformel
C7H4ClN
Molmasse
137.57

Namen und Synonyme

4-CHLOROBENZONITRILE623-03-0p-ChlorobenzonitrileBenzonitrile, 4-chloro-p-CyanochlorobenzeneBenzonitrile, p-chloro-Nitril kyseliny p-chlorbenzoove1-chloro-4-cyanobenzenep-ChlorocyanobenzeneNSC 6111DTXSID80447031-cyano-4-chlorobenzene
Weitere Namen anzeigen
PCBNChlorobenzonitrileAKOS B004081p-ChlorbenzonitrilP-CHLORBENZONITRILEp-Chlorotolunitrile4-Chlorocyanobenzene4-chloro-benzonitril
UNII-4Z0HGP3A8ANSC-6111EINECS 210-765-44Z0HGP3A8ANitril kyseliny p-chlorbenzoove [Czech]AI3-004924-Chlorobenzoic acid nitrile4-CYANOPHENYL CHLORID

Datenbank-Bezeichner

CAS
623-03-0
PubChem CID
12163
DTXSID
DTXSID8044703
ChEMBL
CHEMBL3188114
ChEBI
CHEBI:194693
UNII
4Z0HGP3A8A
EC Number
210-765-4
Nikkaji
J42.015H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.24
Vapor Pressure0.11 [mmHg]
Physical Description · 2 Einträge

CBI

White crystalline powder; Slightly soluble in water; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
90 · 90-93 °C(lit.)
Siedepunkt
223 °C · 223 °C(lit.)
Dichte
1 · 1,2 g/cm3
Dampfdruck
6.67 hPa · 6.67hPa at 80.4℃
Brechungsindex
1.453 · 1.4530 (estimate)
Flammpunkt
108 °C · 108 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 199 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzonitrile, 4-chloro-

Benzonitrile, 4-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzonitrile, 4-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 07-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13585

4-Chlorobenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
3439
hs_code
29269095
RTECS-Nr.
DI2800000
risk_code
20/22-36/37/38

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make a red pigment for plastics; [Ullmann]
U.S. Production2023: 500,000 - <1,000,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information · 2 Einträge

Synthetic Dye and Pigment Manufacturing

Benzonitrile, 4-chloro-: ACTIVE

Anwendungen

Verwenden4-Chlorobenzonitrile is used to prepare a red pigment for plastics. It is also used in the preparation of amides in organic synthesis. Further, it is used as an intermediate of dye and active pharmaceutical ingredients.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁太化工（山东）有限公司15314216173

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