2-(Trifluoromethoxy)phenylacetonitrile
Grundinformationen
- CAS
137218-25-8- Standard-SMILES
N#CCc1ccccc1OC(F)(F)F- InChIKey
OIKWCWVMUBCXJM-UHFFFAOYSA-N- Summenformel
- C9H6F3NO
- Durchschnittliche Molmasse
- 201,14 g/mol
- Monoisotopische Masse
- 201,04014847
Namen und Bezeichner
- Bevorzugter Name
- 2-(Trifluoromethoxy)phenylacetonitrile
- IUPAC
- 2-[2-(trifluoromethoxy)phenyl]acetonitrile
- Englischer Name
- 2-Triflnoromethoxybenzyl cyanide
- Summenformel
- C9H6F3NO
- Molmasse
- 201.15
Namen und Synonyme
2-(Trifluoromethoxy)phenylacetonitrile137218-25-8DTXSID20380472RefChem:254878DTXCID10331498642-508-02-[2-(trifluoromethoxy)phenyl]acetonitrile2-Triflnoromethoxybenzyl cyanideBenzeneacetonitrile, 2-(trifluoromethoxy)-2-(Trifluoromethoxy)benzyl Cyanide2-trifluoromethoxybenzyl cyanideMFCD00236326
Weitere Namen anzeigen
2-Triflnoromethoxyphenylacetonitrile2-(Trifluoromethoxy)phenylacetonitrile98%2-(Trifluoromethoxy)phenylacetonitrile 98%2-(TrifluoroMethoxy)phenylacetonitrile, 95.0%(GC)
2-(2-(trifluoromethoxy)phenyl)acetonitrile(2-trifluoromethoxy-phenyl)-acetonitrile2-[2-(trifluoromethoxy)phenyl]ethanenitrile1(2-(trifluoromethoxy)phenyl)acetonitrile2-trifluoromethoxybenzylcyanideSCHEMBL625370SCHEMBL299212502-trifluoromethoxyphenylacetonitrile
Datenbank-Bezeichner
- CAS
137218-25-8- PubChem CID
- 2777321
- DTXSID
DTXSID20380472
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 33 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 230
Physikochemische Eigenschaften
- Siedepunkt
- 222 · 222-223 °C(lit.)
- Dichte
- 1.28 g/mL · 1.28 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.449(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- Colorless to Light yellow
- InChI
- 1S/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
- InChIKey
- OIKWCWVMUBCXJM-UHFFFAOYSA-N
- SMILES
- FC(F)(F)Oc1ccccc1CC#N
- CAS Datenbank
- 137218 · 137218-25-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (75%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 22-23/24
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden2-Trifluoromethoxyphenylacetonitrile is a useful reactant in stereoselective preparation of β-aminonitriles via pincer-complex catalyzed C-H functionalization of benzyl nitriles with sulfonylimines.
Anbieter70 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
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