Basic information
- CAS
354-37-0- Standard SMILES
N=C(N)C(F)(F)F- InChIKey
NITMACBPVVUGOJ-UHFFFAOYSA-N- Molecular formula
- C2H3F3N2
- Average molar mass
- 112.05 g/mol
- Monoisotopic mass
- 112.02483259
Names & identifiers
- Preferred name
- Trifluoroacetamidine
- IUPAC
- 2,2,2-trifluoroethanimidamide
- English name
- Trifluoroacetamidine
- Molecular formula
- C2H3F3N2
- Molecular weight
- 112.05
Names & synonyms
Trifluoroacetamidine354-37-0DTXSID30380286RefChem:191575DTXCID10331312670-531-6NITMACBPVVUGOJ-UHFFFAOYSA-N2,2,2-trifluoroethanimidamidetrifluoroethanimidamide2,2,2-trifluoroacetimidamide2,2,2-trifluoroacetamidineMFCD00041545
Show more names
uoroacetamidineTrifluoroacetamideineBirabresib Impurity 21TRIFLUOROACETAMIDINE, TECH.Trifluoroacetamidine GeMigliptin
Ethanimidamide, 2,2,2-trifluoro-C2H3F3N2trifluoroacetoamidinetrifluoro-acetamidine2,2,2-trifluoroacetoamidine2,2,2-trifluoroethanamidine2,2,2-trifluoro-acetamidineSCHEMBL233273
Database identifiers
- CAS
354-37-0- PubChem CID
- 2776882
- DTXSID
DTXSID30380286- EC Number
- 670-531-6
- Nikkaji
- J371.367I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 35 · 35-37°C 11mm
- Density
- 1.45 · 1.45
- refractive index
- 1.3801 · 1.3801
- Flash point
- 35 · 35-37°C/11mm
- storage temp.
- -20 C · Store below -20C
- pka
- 6.07 · 6.07±0.40(Predicted)
- form
- liquid
- color
- Clear, yellow
- Water Solubility
- Fully miscible in water.
- Sensitive
- Moisture Sensitive
- BRN
- 605978 · 605978
- InChI
- InChI=1S/C2H3F3N2/c3-2(4,5)1(6)7/h(H3,6,7)
- InChIKey
- NITMACBPVVUGOJ-UHFFFAOYSA-N
- SMILES
- C(N)(=N)C(F)(F)F
- CAS DataBase Reference
- 354 · 354-37-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45-20
- RIDADR
- 3267 · 3267
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Corrosive/Irritant
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29252900 · 29252900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- wgk
- WGK 3
- ridadr
- 3267
- hs_code
- 29252900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Irritant
- safety_code
- 26-36/37/39-45-20
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesTrifluoroacetamidine is used as probe for determination of membrane potential and extra/intracellular volume of erythrocytes by fluorine-19 NMR studies. It is a reagent used as protected ammonia equivalent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
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武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Syntechem Co.,Ltd[email protected]
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陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
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Alfa Chemistry+1-5166625404 · [email protected]
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Related reactions
41 records
Compound notes
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