3,5-Dichlorbenzonitril

3,5-Dichlorobenzonitrile

HCID 81052CAS 6575-00-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#Cc1cc(Cl)cc(Cl)c1
InChIKey: PUJSUOGJGIECFQ-UHFFFAOYSA-N
Summenformel: C7H3Cl2N
Durchschnittliche Molmasse: 172,01 g/mol
Monoisotopische Masse: 170,96425446

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichlorobenzonitrile
IUPAC: 3,5-dichlorobenzonitrile
Lokaler Name: 3,5-Dichlorbenzonitril
Englischer Name: 3,5-Dichlorobenzonitrile
Summenformel: C7H3Cl2N
Molmasse: 172.01

Namen und Synonyme

3,5-Dichlorobenzonitrile6575-00-4Benzonitrile, 3,5-dichloro-EY25KS4R7XNSC-109596DTXSID00215950RefChem:91487DTXCID30138441229-495-33,5-Dichloro-benzonitrileEINECS 229-495-3MFCD00001800

Weitere Namen anzeigen

3,5-Dichlorobenzonit3,5-dichlorobenzenenitrile3,5-Dichlorobenzonitrile>Benzonitrile, 3,5-dichloro-3,5-Dichlorobenzonitrile 97%3,5-Dichlorobenzonitrile,97%13C6]-3,5-Dichlorobenzonitrile6-chloro-1,3-diethylpyrimidine-2,4-dione

UNII-EY25KS4R7XSCHEMBL633226AI3-344633,5-dichlorobenzenecarbonitrile3,5-Dichlorobenzonitrile, 97%CL8178CS-W017636NSC 109596

Datenbank-Bezeichner

CAS: 6575-00-4
PubChem CID: 81052
DTXSID: DTXSID00215950
ChEMBL: CHEMBL51500
UNII: EY25KS4R7X
EC Number: 229-495-3
Nikkaji: J149.835E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 150

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-66 °C (lit.)
Siedepunkt: 283.76 °C · 283.76°C (rough estimate)
Dichte: 1.498 · 1.4980 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Crystalline Powder
Farbe: White to beige-brownish
BRN: 2207019 · 2207019
InChI: InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey: PUJSUOGJGIECFQ-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(Cl)=CC(Cl)=C1
CAS Datenbank: 6575 · 6575-00-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3,5-Dichlorobenzonitrile(6575-00-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (14.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 17-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30274

Hazard Classes and CategoriesAcute Tox. 4 (96.4%)

Sicherheitsdaten

wgk: 3
tsca: N
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
hazard_note: Irritant/Toxic
safety_code: 26-37/39-36/37/39-22-36-36/37-9
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,5-Dichlorobenzonitrile was used as internal standard during the programmed temperature vaporization-GC-MS determination of dichlobenil and 2,6-dichlorobenzamide in onions.