Grundinformationen
- CAS
360-64-5- Standard-SMILES
NC(=O)c1ccccc1C(F)(F)F- InChIKey
QBAYIBZITZBSFO-UHFFFAOYSA-N- Summenformel
- C8H6F3NO
- Durchschnittliche Molmasse
- 189,13 g/mol
- Monoisotopische Masse
- 189,04014847
Namen und Bezeichner
- Bevorzugter Name
- 2-Trifluoromethylbenzamide
- IUPAC
- 2-(trifluoromethyl)benzamide
- Lokaler Name
- o-(Trifluormethyl)benzamid
- Englischer Name
- 2-(Trifluoromethyl)benzamide
- Summenformel
- C8H6F3NO
- Molmasse
- 189.13
Namen und Synonyme
2-(Trifluoromethyl)benzamide360-64-52-TrifluoromethylbenzamideBenzamide, 2-(trifluoromethyl)-o-(Trifluoromethyl)benzamide5U8Y7E6AIOEINECS 206-637-2DTXSID40189560EC 206-637-2RefChem:483835DTXCID00112051206-637-2
Weitere Namen anzeigen
LABOTEST-BB LT00455036o-trifluoromethylbenzoate2-Carbamoylbenzotrifluorideà,à,à-trifluoro-o-toluamide2-Trifluoromethyl benzoamideN-(2-Trifluoromethyl)benzamide
MFCD00014798Fluopyram-benzamide2-(Trifluoromehtyl)benzamideo-trifluoromethyl-benzamideo-TrifluoromethylbenzamideUNII-5U8Y7E6AIO2-trifiuoromethylbenzamide2-(trifluoromethyl) benzamide
Datenbank-Bezeichner
- CAS
360-64-5- PubChem CID
- 67759
- DTXSID
DTXSID40189560- ChEMBL
CHEMBL4558027- UNII
- 5U8Y7E6AIO
- EC Number
- 206-637-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 202
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionLarge Crystals
Physikochemische Eigenschaften
- Schmelzpunkt
- 160 · 160-164 °C (lit.)
- Siedepunkt
- 247.3 · 247.3±40.0 °C(Predicted)
- Dichte
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- Dampfdruck
- 3.466 Pa · 3.466Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 15.46 · 15.46±0.50(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 13 g/L · 13g/L
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 (97.9%): Causes skin irritation [Warning Skin corrosion/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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzamide, 2-(trifluoromethyl)-
Regulation (EC) No 1107/2009 (amended)
Benzamide, 2-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 2-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13262
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924297099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzamide, 2-(trifluoromethyl)-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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