2,4-Dichloro-6-methylbenzonitrile
Grundinformationen
- CAS
175277-98-2- Standard-SMILES
Cc1cc(Cl)cc(Cl)c1C#N- InChIKey
NFPYAMXNKNDVDS-UHFFFAOYSA-N- Summenformel
- C8H5Cl2N
- Durchschnittliche Molmasse
- 186,03 g/mol
- Monoisotopische Masse
- 184,9799046
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dichloro-6-methylbenzonitrile
- IUPAC
- 2,4-dichloro-6-methylbenzonitrile
- Englischer Name
- 2,4-Dichloro-6-methylbenzonitrile
- Summenformel
- C8H5Cl2N
- Molmasse
- 186.04
Namen und Synonyme
2,4-dichloro-6-methylbenzonitrile175277-98-2DTXSID50384201RefChem:246297DTXCID20335225Benzonitrile, 2,4-dichloro-6-methyl-MFCD0005286524-Dichloro-6-methylbenzonitrile2,4-dichloro-6-methyl-benzonitrileSCHEMBL967389SCHEMBL28031894NFPYAMXNKNDVDS-UHFFFAOYSA-N
Weitere Namen anzeigen
4,6-Dichloro-o-tolunitrileBenzonitrile,2,4-dichloro-6-methyl-2,4-Dichloro-6-methylbenzonitrile-97%
AKOS0159087044,6-dichloro-2-methylbenzenecarbonitrileDA-09232SY109469TS-00231CS-0038544ST50408250F237597
Datenbank-Bezeichner
- CAS
175277-98-2- PubChem CID
- 2800965
- DTXSID
DTXSID50384201- EC Number
- 678-691-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 184
Physikochemische Eigenschaften
- Schmelzpunkt
- 79 · 79-81°C
- Siedepunkt
- 287 · 287.0±35.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- BRN
- 3249214 · 3249214
- InChI
- InChI=1S/C8H5Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
- InChIKey
- NFPYAMXNKNDVDS-UHFFFAOYSA-N
- SMILES
- C(#N)C1=C(C)C=C(Cl)C=C1Cl
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 4 reports by companies from 1 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.
Sicherheitsdaten
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Anbieter48 Anbieter
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