827-36-1
Grundinformationen
- CAS
827-36-1- Standard-SMILES
CN(C)C(C#N)c1ccccc1- InChIKey
PAGHXXKYFBGJEH-UHFFFAOYSA-N- Summenformel
- C10H12N2
- Durchschnittliche Molmasse
- 160,22 g/mol
- Monoisotopische Masse
- 160,10004839
Namen und Bezeichner
- Bevorzugter Name
- 827-36-1
- IUPAC
- 2-(dimethylamino)-2-phenylacetonitrile
- Englischer Name
- α-(Dimethylamino)phenylacetonitrile
- Summenformel
- C10H12N2
- Molmasse
- 160.22
Namen und Synonyme
827-36-1alpha-(Dimethylamino)phenylacetonitrileACETONITRILE, (DIMETHYLAMINO)PHENYL-Acetonitrile, 2-(dimethylamino)-2-phenyl-alpha-Dimethylaminophenyl acetonitrileNSC 37416BRN 2089853Benzeneacetonitrile, alpha-(dimethylamino)-alpha-(Dimethylamino)benzeneacetonitrile4-14-00-01321 (Beilstein Handbook Reference)RefChem:312366Benzeneacetonitrile, alpha-(dimethylamino)-(9CI)
Weitere Namen anzeigen
TIMTEC-BB SBB007705OTAVA-BB BB7020410109Dimethylaminophenylacetonitrile(dimethylamino)phenyl-acetonitrilPhenyl(dimethylamino)acetonitrilen,n-dimethyl-2-phenylglycinonitrileα-(Dimethylamino)phenylacetonitrileα-(Dimethylamino)benzeneacetonitrilealpha-dimethylaminophenylacetonitrile
624-137-6InChI=1/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H2-(dimethylamino)-2-phenylacetonitrile2-(dimethylamino)-2-phenyl-acetonitrileMFCD00013810ALPHA-(N,N-DIMETHYLAMINO)PHENYLACETONITRILE(dimethylamino)(phenyl)acetonitrilea-N,N-Dimethylaminophenylacetonitrile
Datenbank-Bezeichner
- CAS
827-36-1- PubChem CID
- 13227
- DTXSID
DTXSID601290345- UNII
- W5R673V7DN
- EC Number
- 624-137-6
- Nikkaji
- J55.002G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 27 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 172
Physikochemische Eigenschaften
- Siedepunkt
- 88 · 88-90 °C(lit.)
- Dichte
- 0.997 g/mL · 0.997 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.5145(lit.)
- Flammpunkt
- 219 °F · 219 °F
- pka
- 4.29 · 4.29±0.50(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
- InChIKey
- PAGHXXKYFBGJEH-UHFFFAOYSA-N
- SMILES
- CN(C)C(C#N)c1ccccc1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN3276
- hs_code
- 2926907090
- RTECS-Nr.
- AL9625000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Anbieter11 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
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