Basic information
- CAS
819-07-8- Standard SMILES
O=[N+]([O-])CC(F)(F)F- InChIKey
JIKDQMLRRHUBKY-UHFFFAOYSA-N- Molecular formula
- C2H2F3NO2
- Average molar mass
- 129.04 g/mol
- Monoisotopic mass
- 129.00376296
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-2-nitroethane
- IUPAC
- 1,1,1-trifluoro-2-nitroethane
- English name
- 1,1,1-Trifluoronitroethane
- Molecular formula
- C2H2F3NO2
- Molecular weight
- 129.04
Names & synonyms
1,1,1-trifluoro-2-nitroethane819-07-8DTXSID70335058RefChem:70857DTXCID20286147825-543-81,1,1-TRIFLUORONITROETHANE2,2,2-trifluoronitroethane1,1,1-trifluoro-2-nitro-ethaneEthane,1,1,1-trifluoro-2-nitro-Ethane, 1,1,1-trifluoro-2-nitro-MFCD04973018
Show more names
C2H2F3NO2SCHEMBL1603795RXQCYTAGKGRTBM-UHFFFAOYSA-N1,1,1-Trifluoro, 2-nitroethaneAT25465FT78177DB-008008EN300-86397
Database identifiers
- CAS
819-07-8- PubChem CID
- 522762
- DTXSID
DTXSID70335058- EC Number
- 825-543-8
- Nikkaji
- J663.731K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 96 °C · 96°C (estimate)
- Density
- 1 · 1,46 g/cm3
- refractive index
- 1.3394 · 1.3394
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H319-H412-H302-H331-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS06
- safety_code
- 26-36/37/39
- Hazard statements
- H226-H319-H412-H302-H331-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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