Basic information
- CAS
74467-04-2- Standard SMILES
ON=C(Cl)c1ccccc1C(F)(F)F- InChIKey
QKICFEIYQLMRAK-UHFFFAOYSA-N- Molecular formula
- C8H5ClF3NO
- Average molar mass
- 223.58 g/mol
- Monoisotopic mass
- 223.001176
Names & identifiers
- Preferred name
- N-Hydroxy-2-(trifluoromethyl)benzene-1-carboximidoyl chloride
- IUPAC
- N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
- English name
- N-Hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
- Molecular formula
- C8H5ClF3NO
- Molecular weight
- 223.58
Names & synonyms
74467-04-2N-Hydroxy-2-(trifluoromethyl)benzimidoyl chlorideN-Hydroxy-2-(trifluoromethyl)benzene-1-carboximidoyl chlorideN-Hydroxy-2-(trifluoromethyl)-benzenecarboximidoylchlorideSCHEMBL4035108SCHEMBL30437745DTXSID50694150alpha-Chloro-2-(trifluoromethyl)benzaldoxime;N-Hydroxy-2-(trifluoromethyl)benzimidoyl chlorideDB-087881N-hydroxy-2-(trifluoromethyl)benzimidoylchloride4-Bromo-3-chloro-6-(trifluoromethyl)aniline2-(Trifluoromethyl)benzohydroximinoyl chloride
Show more names
N-Hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chlorideN-hydroxy-2-(trifluoroMethoxy)benzene carboxiMidoyl chlorideBenzenecarboximidoyl chloride, N-hydroxy-2-(trifluoromethyl)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride[alpha-Chloro-2-(trifluoromethyl)benzaldoxime]
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 80 · 80-82
- Boiling point
- 286.8 · 286.8±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.70(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 228 · H228-H314
- Precautionary statements
- 210 · P210-P240-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922500090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H228-H314
- Precautionary statements
- P210-P240-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403-P501
Chemistry & industry
Applications
UsesN-Hydroxy-2-(trifluoromethyl)benzimidoyl Chloride is used in the synthesis of isoxazolecarboxamides as potential fungicides.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
Related reactions
2 records
Compound notes
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