Basic information
- CAS
76769-07-8- Standard SMILES
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)O- InChIKey
YKSHSSFDOHACTC-SNVBAGLBSA-N- Molecular formula
- C12H13ClF3NO2
- Average molar mass
- 295.68 g/mol
- Monoisotopic mass
- 295.058691
Names & identifiers
- Preferred name
- (R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acid
- IUPAC
- (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid
- English name
- (2S)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate
- Molecular formula
- C12H13ClF3NO2
- Molecular weight
- 295.69
Names & synonyms
76769-07-8(R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acidN-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine(2-chloro-4-(trifluoromethyl)phenyl)-D-valine(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid(R)-2-[[2-Chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoic Acid(2R)-2-{[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO}-3-METHYLBUTANOIC ACIDMFCD22421624tau-fluvalinate TP1SCHEMBL5598915SCHEMBL31070905DTXSID70998081
Show more names
Fluvalinate Impurity 2D-Valine,N-[2-chloro-4-(trifluoroMethyl)phenyl]-(R)-2-[2-Chloro-4-(trifluoromethyl)anilino]-3-methylbutyric acid2-[2-chloro-4-α，α，α-trifluoromethyl anilino-3-methyl butyric acid2-[[2-Chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoic acid(2S)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate
MFCD09863466(R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoicacidAKOS015998970FC90388SY282361NS00115846N-[2-chloro-4-(trifluoromethyl) phenyl]-d-valine2-chloro-4-(trifluromethyl) anilino-3 methyl butanoic acid
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 63 · 63-65°C
- Boiling point
- 381.545 · 381.545±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.837 · 3.837±0.10(predicted)
- color
- White to Pale Yellow
Chemistry & industry
Applications
UsesN-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine is an intermediate in synthesizing τ-Fluvalinate (F601100), a synthetic pyrethroid aracacide. τ-Fluvalinate is commonly used to control Varroa jacobsoni (a parasitic mite) in honey bee colonies.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
2 records
Compound notes
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