Basic information
- CAS
105626-86-6- Standard SMILES
CCOC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
TUPASNXVBALDOQ-UHFFFAOYSA-N- Molecular formula
- C15H11ClF3NO3
- Average molar mass
- 345.7 g/mol
- Monoisotopic mass
- 345.0379554
Names & identifiers
- Preferred name
- Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzoate
- IUPAC
- ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
- English name
- 3-Chloro-2-[4-(ethoxycarbonyl)phenoxy]-5-(trifluoromethyl)pyridine
- Molecular formula
- C15H11ClF3NO3
- Molecular weight
- 345.7
Names & synonyms
105626-86-6Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzoate3-Chloro-2-[4-(ethoxycarbonyl)phenoxy]-5-(trifluoromethyl)pyridineMFCD00084952ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzoateethyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoateethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzoateTUPASNXVBALDOQ-UHFFFAOYSA-NMaybridge1_008669HMS566C01DTXSID403714083-Chloro-2-[4-(ethoxycarbonyl)phenoxy]-5-(trifluoromethyl) pyridine
Show more names
ChloroethoxycarbonylphenoxytrifluoromethylpyridineETHYL 4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)BENZOATE3-Chloro-2-[4-(ethoxycarbonyl)phenoxy]-5-(trifluoromethyl)pyridine97%3-Chloro-2-[4-(ethoxycarbonyl)phenoxy]-5-(trifluoromethyl)pyridine 97%BENZOICACID,4-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]OXY]-,ETHYLESTER
CCG-40949SPB 03008AKOS015848953MS-9189DB-040640CS-0440314F008226SR-01000631056-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 58 · 58-60°C
- Boiling point
- 367.369 · 367.369±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.222 · 0.222±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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