2,5-Dichlorbenzonitril

2,5-Dichlorobenzonitrile

HCID 89000CAS 21663-61-6

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Grundinformationen

Standard-SMILES: N#Cc1cc(Cl)ccc1Cl
InChIKey: LNGWRTKJZCBXGT-UHFFFAOYSA-N
Summenformel: C7H3Cl2N
Durchschnittliche Molmasse: 172,01 g/mol
Monoisotopische Masse: 170,9642545

Namen und Bezeichner

Bevorzugter Name: 2,5-Dichlorobenzonitrile
IUPAC: 2,5-dichlorobenzonitrile
Lokaler Name: 2,5-Dichlorbenzonitril
Englischer Name: 2,5-Dichlorobenzonitrile
Summenformel: C7H3Cl2N
Molmasse: 172.01

Namen und Synonyme

2,5-Dichlorobenzonitrile21663-61-6Benzonitrile, 2,5-dichloro-DTXSID70176049EINECS 244-518-7NSC 166361AI3-33405RefChem:82810DTXCID6098540244-518-7LNGWRTKJZCBXGT-UHFFFAOYSA-NMFCD00019741

Weitere Namen anzeigen

2,5-Dichlorobenzonit5-Dichlorobenzonitrile2,5-DICHLOROBENZOICACID2,5-DICHLOROBEMZONITRILE2,5-DICHLOROBENZONITRITE2,5-Dichlorobenzonitrile>2,5-Dichlorobenzonitrile,98%2,5-Dichlorobenzonitrile 98%

2,5-dichlorobenzenecarbonitrileNSC166361SCHEMBL104941SCHEMBL5843414BBL011046CK2138SBB063683AKOS005254736

Datenbank-Bezeichner

CAS: 21663-61-6
PubChem CID: 89000
DTXSID: DTXSID70176049
EC Number: 244-518-7
Nikkaji: J195.892E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-132 °C(lit.)
Siedepunkt: 247.6 · 247.6±20.0 °C(Predicted)
Dichte: 1.4 · 1.40±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 2045293 · 2045293
CAS Datenbank: 21663 · 21663-61-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,5-Dichlorobenzonitrile(21663-61-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (13%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 46 reports by companies from 6 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.