Basic information
- CAS
241127-76-4- Standard SMILES
O=[N+]([O-])c1ccc(C(O)C(F)(F)F)cc1- InChIKey
UQFMTXANBPARMP-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3
- Average molar mass
- 221.13 g/mol
- Monoisotopic mass
- 221.02997754
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-(4-nitrophenyl)ethanol
- IUPAC
- 2,2,2-trifluoro-1-(4-nitrophenyl)ethanol
- English name
- Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)
- Molecular formula
- C8H6F3NO3
- Molecular weight
- 221.13
Names & synonyms
2,2,2-trifluoro-1-(4-nitrophenyl)ethanol241127-76-41-(4-nitrophenyl)-2,2,2-trifluoroethanolMFCD166153534-Nitro-alpha-(trifluoromethyl)benzyl Alcohol2,2,2-trifluoro-1-(4-nitrophenyl)ethan-1-olBenzenemethanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)SCHEMBL1814058DTXSID90468079AKOS022173243Benzenemethanol, 4-nitro-alpha-(trifluoromethyl)-AS-41525
Show more names
Benzenemethanol, 4-nitro-α-(trifluoromethyl)-
SY219829DB-285447CS-03805052,2,2-trifluoro-1-(4-nitro-phenyl)-ethanolEN300-323122F331109Z1509526716
Database identifiers
- CAS
241127-76-4- PubChem CID
- 11528653
- DTXSID
DTXSID90468079- Nikkaji
- J1.239.280J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 128 · 128-130 °C
- Boiling point
- 314.1 · 314.1±42.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.13 · 11.13±0.10(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2906290090 · 2906290090
Safety & regulation
Safety data
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers27 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
西安奕诺生物科技有限公司18809207782 18809207782 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
4 records
Compound notes
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