Grundinformationen
- Standard-SMILES
NCc1cc(C(F)(F)F)ccc1Cl- InChIKey
XOCMZYUQWVACMA-UHFFFAOYSA-N- Summenformel
- C8H7ClF3N
- Durchschnittliche Molmasse
- 209,59 g/mol
- Monoisotopische Masse
- 209,02191156
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-5-(trifluoromethyl)benzylamine
- IUPAC
- [2-chloro-5-(trifluoromethyl)phenyl]methanamine
- Englischer Name
- 2-Chloro-5-trifluoromethylbenzyl chloride
- Summenformel
- C8H7ClF3N
- Molmasse
- 209.6
Namen und Synonyme
2-Chloro-5-(trifluoromethyl)benzylamine15996-78-8DTXSID00371525RefChem:258901DTXCID20322559624-271-5[2-chloro-5-(trifluoromethyl)phenyl]methanamine2-chloro-5-(trifluoromethyl)benzyl amineMFCD00190123(2-chloro-5-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 2-chloro-5-(trifluoromethyl)-[2-chloro-5-(trifluoromethyl)phenyl]methylamine
Weitere Namen anzeigen
RARECHEM AL BW 0385Chlorotrifluoromethylbenzylamine 25()---2-Chloro-5-trifluoromethylbenzyl chloride2-Chloro-5-(trifluoromethyl)benzylamine98%2-Chloro-5-(trifluoromethyl)benzylamine 98%2-Chloro-5-(trifluoromethyl)benzylamine, 97+%(2-Chloro-5-(trifluoroMethyl) phenyl) MethanaMine
2-chloro-5-trifluoromethyl-benzylamine1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINESCHEMBL856434SCHEMBL6152782SBB028422AKOS015850171PS-8024SB78647
Datenbank-Bezeichner
- CAS
15996-78-8- PubChem CID
- 2736682
- DTXSID
DTXSID00371525- EC Number
- 624-271-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 171
Physikochemische Eigenschaften
- Siedepunkt
- 90 · 90-94°C 13mm
- Dichte
- 1.338 g/mL · 1.338 g/mL at 25 °C
- Brechungsindex
- 20 · n 20/D 1.489
- Flammpunkt
- 218 °F · 218 °F
- pka
- 8.15 · 8.15±0.10(Predicted)
- Aggregatzustand
- liquid
- Farbe
- Clear, almost colourless
- BRN
- 2835666 · 2835666
- InChI
- 1S/C8H7ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
- InChIKey
- XOCMZYUQWVACMA-UHFFFAOYSA-N
- SMILES
- NCc1cc(ccc1Cl)C(F)(F)F
- CAS Datenbank
- 15996 · 15996-78-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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 (86.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 2921490090
- risk_code
- 25-36/38-43-36
- hazard_code
- T,C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37-45
- hazard_class
- 8
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
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