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Grundinformationen
- CAS
14649-03-7- Standard-SMILES
C[C@H](N=C=O)c1ccccc1- InChIKey
JJSCUXAFAJEQGB-QMMMGPOBSA-N- Summenformel
- C9H9NO
- Durchschnittliche Molmasse
- 147,17 g/mol
- Monoisotopische Masse
- 147,06841391
Namen und Bezeichner
- Bevorzugter Name
- (S)-(-)-1-Phenylethyl isocyanate
- IUPAC
- [(1S)-1-isocyanatoethyl]benzene
- Lokaler Name
- S-(-)-alpha-Methylbenzylisocyanat
- Englischer Name
- (S)-(-)-1-Phenylethyl isocyanate
- Summenformel
- C9H9NO
- Molmasse
- 147.17
Namen und Synonyme
(S)-(-)-1-Phenylethyl isocyanateBenzene, [(1S)-1-isocyanatoethyl]-Benzene, ((1S)-1-isocyanatoethyl)-RefChem:40766614649-03-7[(1S)-1-isocyanatoethyl]benzene(S)-(-)-alpha-Methylbenzyl isocyanate(S)-(-)-1-PhenylethylisocyanateMFCD00002036(S)-1-PHENYLETHYLISOCYANATE(1-Isocyanatoethyl)benzene #(S)-1-phenylethyl isocyanate
Weitere Namen anzeigen
(S)-(-)-A-METHYLBENZYL ISOCYANATE(S)-(-)-α(S)-(-)-α-MethyL(S)-(-)-α-Methylbenzyl Isocyanate(S) METHYL BENZYLISOCYANATE
(S)-(-)-|A-Methylbenzyl isocyanate(s)-(1-isocyanatoethyl)benzene(S)-alpha-methylbenzyl isocyanate(S)-methyl benzylisocyanateSCHEMBL7980(S)-methyl benzyl isocyanate(S)-1-isocyanato-ethyl-benzene(S)-alpha-methylbenzylisocyanate
Datenbank-Bezeichner
- CAS
14649-03-7- PubChem CID
- 2724173
- DTXSID
DTXSID30932845
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 155
Physikochemische Eigenschaften
- Schmelzpunkt
- 65 °C · 65 °C
- Siedepunkt
- 98 °C/23 · 98 °C/23 mmHg
- Dichte
- 1.05 · 1.05
- Brechungsindex
- 1.51 · 1.51
- Flammpunkt
- 65 °C · 65 °C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Wasserlöslichkeit
- Decomposition
- BRN
- 4230972 · 4230972
- InChI
- 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
- InChIKey
- JJSCUXAFAJEQGB-QMMMGPOBSA-N
- SMILES
- C[C@H](N=C=O)c1ccccc1
- CAS Datenbank
- 14649 · 14649-03-7(CAS DataBase Reference)
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
Danger
H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (87%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (10.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H334 (97.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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.
Gefahrenhinweise
Regulatory Information(S)-(-)-1-Phenylethyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (10.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 2 (87%)；Acute Tox. 3 (10.9%)；Resp. Sens. 1 (97.8%)；STOT SE 3 (100%)
Regulatorische Informationen
Chemie und Industrie
Anwendungen
Verwenden(S)-(-)-1-Phenylethyl isocyanate act by inhibition of cell proliferation and induction of apoptosis. It helps to prevent lung cancer and esophageal cancer. It is a fine chemical intermediate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Zugehörige Reaktionen
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