2-Chloro-4-(trifluoromethyl)benzonitrile
Grundinformationen
- CAS
1813-33-8- Standard-SMILES
N#Cc1ccc(C(F)(F)F)cc1Cl- InChIKey
GEHMLBFNZKJDQM-UHFFFAOYSA-N- Summenformel
- C8H3ClF3N
- Durchschnittliche Molmasse
- 205,56 g/mol
- Monoisotopische Masse
- 204,99061144
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-4-(trifluoromethyl)benzonitrile
- IUPAC
- 2-chloro-4-(trifluoromethyl)benzonitrile
- Englischer Name
- 2-Chloro-4-(trifluoromethyl)benzonitrile
- Summenformel
- C8H3ClF3N
- Molmasse
- 205.56
Namen und Synonyme
2-Chloro-4-(trifluoromethyl)benzonitrile1813-33-8DTXSID40371387RefChem:258721DTXCID50322421640-335-53-Chloro-4-cyanobenzotrifluorideBenzonitrile, 2-chloro-4-(trifluoromethyl)-MFCD000849392-Chloro-4-trifluoromethylbenzonitrile4-(trifluoromethyl)-2-chlorobenzonitrileSCHEMBL952338
Weitere Namen anzeigen
BUTTPARK 97\57-31oro-4-cyanobenzotrifL3-CHLORO-4-CYANOBENZOTRI3-chloro-4-cyanobenzorifluoride2-Chloro-4-cyanobenzotrifluoride3-Chloro-4-cyanobenzotrifluoride98%3-Chloro-4-cyanobenzotrifluoride 98%2-Chloro-4-(Trifluoromethyl)Benzonitr2-Chloro-α,α,α-trifluoro-p-tolunitrile
AKOS005063451PS-8096SY0226172-chloro-4-(trifluoromethyl)benzenecarbonitrileEN300-3163392-Chloro-4-(trifluoromethyl)benzonitrile, 97%AM61379A4020
Datenbank-Bezeichner
- CAS
1813-33-8- PubChem CID
- 2736476
- DTXSID
DTXSID40371387- EC Number
- 640-335-5
- Nikkaji
- J2.803.521G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 229
Physikochemische Eigenschaften
- Schmelzpunkt
- 82 · 82-83°C/8mm
- Siedepunkt
- 192 · 192-193 °C(lit.)
- Dichte
- 1.389 g/mL · 1.389 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.4840(lit.)
- Flammpunkt
- 220 °F · >220 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- fused solid
- Farbe
- White
- InChI
- InChI=1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
- InChIKey
- GEHMLBFNZKJDQM-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(C(F)(F)F)C=C1Cl
- CAS Datenbank
- 1813 · 1813-33-8(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
H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (42.9%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden2-Chloro-4-trifluoromethylbenzonitrile (cas# 1813-33-8) is a compound useful in organic synthesis.
Anbieter100 Anbieter
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