2,4,6-Trichlorobenzonitrile

HCID 522179

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Grundinformationen

CAS: 6575-05-9
Standard-SMILES: N#Cc1c(Cl)cc(Cl)cc1Cl
InChIKey: PGODHCIOIPODFE-UHFFFAOYSA-N
Summenformel: C7H2Cl3N
Durchschnittliche Molmasse: 206,5 g/mol
Monoisotopische Masse: 204,925282

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Trichlorobenzonitrile
IUPAC: 2,4,6-trichlorobenzonitrile
Englischer Name: 2,4,6-Trichlorobenzonitrile
Summenformel: C7H2Cl3N
Molmasse: 206.46

Namen und Synonyme

2,4,6-Trichlorobenzonitrile6575-05-9PGODHCIOIPODFE-UHFFFAOYSA-DTXSID60334873RefChem:82096DTXCID10285962672-599-2InChI=1/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2HPGODHCIOIPODFE-UHFFFAOYSA-NBenzonitrile, 2,4,6-trichloro-MFCD00052711C7H2Cl3N

Weitere Namen anzeigen

2,4,6-trichlorohydrinBenzonitrile,2,4,6-trichloro-2,4,6-Trichlorobenzonitrile, 97+%

2,4,6-trichlorobenzenecarbonitrileSCHEMBL952362SBB055316AKOS015850362AC-4103CS-W015302FT70460DS-18144

Datenbank-Bezeichner

CAS: 6575-05-9
PubChem CID: 522179
DTXSID: DTXSID60334873
EC Number: 672-599-2
Nikkaji: J209.056B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-82°C
Siedepunkt: 303.1 · 303.1±37.0 °C(Predicted)
Dichte: 1.54 · 1.54±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
CAS Datenbank: 6575 · 6575-05-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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 6 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 3 (16.7%)；Acute Tox. 3 (16.7%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)；Acute Tox. 3 (16.7%)；STOT SE 3 (83.3%)