Grundinformationen
- Standard-SMILES
CCOC(=O)C=C(N)C(F)(F)F- InChIKey
NXVKRKUGIINGHD-UHFFFAOYSA-N- Summenformel
- C6H8F3NO2
- Durchschnittliche Molmasse
- 183,13 g/mol
- Monoisotopische Masse
- 183,05071316
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 3-amino-4,4,4-trifluoro-2-butenoate
- IUPAC
- ethyl 3-amino-4,4,4-trifluorobut-2-enoate
Namen und Synonyme
372-29-2Ethyl 3-amino-4,4,4-trifluoro-2-butenoateRefChem:343301ethyl 3-amino-4,4,4-trifluorobut-2-enoate498583-09-8MFCD00068195(E)-Ethyl 3-amino-4,4,4-trifluorocrotonateSCHEMBL713656DTXSID001270040AKOS025243620ethyl 3-amino-4,4,4-trifluorobutenoateDB-049083
Weitere Namen anzeigen
DB-264958ethyl 4,4,4-trifluoro-3-amino-2-butenoateNS00122421F0014953-amino-4,4,4-trifluoro-2-butenoic acid ethyl ester4,4,4-trifluoro-3-amino-2-butenoic acid ethyl ester
Datenbank-Bezeichner
- CAS
372-29-2- PubChem CID
- 136209
- DTXSID
DTXSID001270040- EC Number
- 609-360-9、955-032-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 52,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 197
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 59) of reports.
Danger
H302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester 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.
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (88.1%)
Acute Tox. 4 (100%)
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 700,000 - <850,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester: ACTIVE
Zugehörige Reaktionen
20
Verknüpfte Notizen
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