Basic information
- Standard SMILES
CCOC(=O)C=C(N)C(F)(F)F- InChIKey
NXVKRKUGIINGHD-UHFFFAOYSA-N- Molecular formula
- C6H8F3NO2
- Average molar mass
- 183.13 g/mol
- Monoisotopic mass
- 183.05071316
Names & identifiers
- Preferred name
- Ethyl 3-amino-4,4,4-trifluoro-2-butenoate
- IUPAC
- ethyl 3-amino-4,4,4-trifluorobut-2-enoate
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
372-29-2- PubChem CID
- 136209
- DTXSID
DTXSID001270040- EC Number
- 609-360-9、955-032-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
Physical DescriptionLiquid
Safety & regulation
GHS classification
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
Hazard information
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%)
Chemistry & industry
Uses & manufacturing
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
Related reactions
20 records
Linked notes
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