2-Chloro-4-methyl-nicotinonitrile
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Grundinformationen
- CAS
65169-38-2- Standard-SMILES
Cc1ccnc(Cl)c1C#N- InChIKey
BXUFVXSRHLSIMN-UHFFFAOYSA-N- Summenformel
- C7H5ClN2
- Durchschnittliche Molmasse
- 152,58 g/mol
- Monoisotopische Masse
- 152,0141259
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-4-methyl-nicotinonitrile
- IUPAC
- 2-chloro-4-methylpyridine-3-carbonitrile
- Englischer Name
- 2-Chloro-4-methylpyridine-3-carbonitrile
- Summenformel
- C7H5ClN2
- Molmasse
- 152.58
Namen und Synonyme
2-Chloro-4-methyl-nicotinonitrile2-chloro-4-methyl-3-pyridinecarbonitrileRefChem:469065692-358-52-Chloro-4-methylpyridine-3-carbonitrile65169-38-22-chloro-4-methylnicotinonitrileMFCD070828883-PYRIDINECARBONITRILE, 2-CHLORO-4-METHYL-2-CHLORO-3-CYANO-4-METHYLPYRIDINE2-chloro-4-methyl-pyridine-3-carbonitrilechloro-4-methylnicotinonitrile
Weitere Namen anzeigen
2-Chloro-4-methyl-3-cyano-pyridine_x000D_2-Chloro-4-methylpyridine-3-carbonitrile2-Chloro-4-methylpyridine-3-carbonitrile ISO 9001：2015 REACH
SCHEMBL6771942-Chloro-4-methylnicotinotrile65CHB933TNDTXSID20495838BXUFVXSRHLSIMN-UHFFFAOYSA-NAKOS006286038AB30548AC-2961
Datenbank-Bezeichner
- CAS
65169-38-2- PubChem CID
- 12387736
- DTXSID
DTXSID20495838- UNII
- 65CHB933TN
- EC Number
- 692-358-5
- Nikkaji
- J3.370.937D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 36,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 160
Physikochemische Eigenschaften
- Schmelzpunkt
- 108 · 108-109°
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- solid
- Farbe
- Light brown to brown
- InChI
- InChI=1S/C7H5ClN2/c1-5-2-3-10-7(8)6(5)4-9/h2-3H,1H3
- InChIKey
- BXUFVXSRHLSIMN-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC(C)=C1C#N
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+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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 3 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. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
- hazard_class
- IRRITANT
Chemie und Industrie
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