Grundinformationen
- Standard-SMILES
N#CC(Cl)Cc1ccccc1- InChIKey
ZUPBNBYEVVGQKK-UHFFFAOYSA-N- Summenformel
- C9H8ClN
- Durchschnittliche Molmasse
- 165,62 g/mol
- Monoisotopische Masse
- 165,034527
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-3-phenyl-propionitrile
- IUPAC
- 2-chloro-3-phenylpropanenitrile
- Englischer Name
- 2-CHLORO-3-PHENYLPROPIONITRILE
- Summenformel
- C9H8ClN
- Molmasse
- 165.62
Namen und Synonyme
2-chloro-3-phenyl-propionitrile17849-62-6DTXSID30292173RefChem:258601DTXCID602433152-chloro-3-phenylpropanenitrileMFCD00995426Benzenepropanenitrile, alpha-chloro-2-Chloro-3-phenylpropionitrileNSC80631SCHEMBL94040742-chloro-3-phenyl-propanenitrile
Weitere Namen anzeigen
Benzenepropanenitrile, α-chloro-
Benzenepropanenitrile, |A-chloro-ZUPBNBYEVVGQKK-UHFFFAOYSA-NSAA84962alpha-chloro-beta-phenylpropionitrileNSC-80631SBB084100AKOS000115685AS-5935
Datenbank-Bezeichner
- CAS
17849-62-6- PubChem CID
- 255272
- DTXSID
DTXSID30292173- EC Number
- 989-336-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 152
Physikochemische Eigenschaften
- Schmelzpunkt
- 21 · 21-22.5 °C(Solv: ligroine (8032-32-4))
- Siedepunkt
- 128 · 128-130 °C(Press: 13 Torr)
- Dichte
- 1.15 · 1.150±0.06 g/cm3(Predicted)
Sicherheit und Regulatorisches
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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2926907090
Chemie und Industrie
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