Basic information
- CAS
59733-95-8- Standard SMILES
CCOC(=O)C(=[N+]=[N-])C(F)(F)F- InChIKey
GXFLKLPWJHICEV-UHFFFAOYSA-N- Molecular formula
- C5H5F3N2O2
- Average molar mass
- 182.1 g/mol
- Monoisotopic mass
- 182.03031189
Names & identifiers
- Preferred name
- Ethyl 2-Diazo-3,3,3-trifluoro-propionate
- IUPAC
- ethyl 2-diazo-3,3,3-trifluoropropanoate
- English name
- Ethyl 2-diazo-3,3,3-trifluoro-propionate
- Molecular formula
- C5H5F3N2O2
- Molecular weight
- 182.1
Names & synonyms
59733-95-8Ethyl 2-Diazo-3,3,3-trifluoro-propionateETHYL 2-DIAZO-3,3,3-TRIFLUOROPROPANOATENSC225334ethyl 2-diazo-3,3,3-trifluoropropionateSCHEMBL1735970GXFLKLPWJHICEV-UHFFFAOYSA-NMFCD05664162AKOS006294448AB22305NSC-225334ethyl 3,3,3-trifluoro-2-diazopropionate
Show more names
2-diazo-3,3,3-trifluoropropanoic acid, ethyl ester
SY520903ethyl 2-diazo-3,3,3-trifluoro-propanoateethyl (2E)-2-diazo-3,3,3-trifluoropropanoateG26165EN300-259831932-Diazo-3,3,3-trifluoro-propionic acid ethyl ester
Database identifiers
- CAS
59733-95-8- PubChem CID
- 312949
- EC Number
- 674-929-0
- Nikkaji
- J2.052.155D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 60 · 60-62°C/100mm
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H332-H302-H312-H315-H335
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H332-H302-H312-H315-H335
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
杭州里德伯生物科技有限公司13616542515 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
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