Methyl 3-(1,1-difluoroethyl)benzoate CAS 878745-29-0
| CAS No. | 878745-29-0 |
| Molecular Formula | C10H10F2O2 |
| Molecular Weight | 200.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-(1,1-difluoroethyl)benzoate (CAS 878745-29-0) is a high-purity analytical reference standard with the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol.
Structurally, Methyl 3-(1,1-difluoroethyl)benzoate (C10H10F2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 200.18 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 3-(1,1-difluoroethyl)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H10F2O2 |
| Molecular Weight | 200.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related Methyl Standards
- 5-(1,1-Difluoroethyl)-2-methoxybenzaldehyde (CAS 188726-08-1)
- Methyl 4-(1,1-difluoroethyl)benzoate (CAS 444915-84-8)
- 7-(1,1-Difluoroethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4(5H)-one (CAS 2489784-04-3)
- 2-(3-(1,1-Difluoroethyl)phenyl)propan-2-ol (CAS 1780914-12-6)
- 2-(4-(1,1-Difluoroethyl)phenyl)propan-2-ol (CAS 1783353-90-1)
- N-(2,2-Difluoroethyl)tetrahydro-3-thiophenamine 1,1-dioxide (CAS 915402-22-1)
- Methyl 6-(1,1-difluoroethyl)picolinate (CAS 1446508-53-7)
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Recommended Standards
- Methyl 2-(2,6-difluorophenyl)propanoate (CAS 935480-66-3)
- Methyl 3-(difluoromethyl)-2-methylbenzoate (CAS 2112821-20-0)
- Ethyl alpha,alpha-Difluorophenylacetate (CAS 2248-46-6)
- Ethyl 4-(difluoromethyl)benzoate (CAS 64747-71-3)
- 3-(4-Chlorobenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxylic acid (CAS 312512-86-0)
- SC-236 (CAS 170569-86-5)
- Methyl 3-(tert-butylcarbamoyl)benzoate (CAS 67852-99-7)
- 4-(2,3-Dichlorobenzoyl)-N,1-dimethyl-1H-pyrrole-2-carboxamide (CAS 338753-47-2)
- [2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(cyclohexane-1,2-diamine]ruthenium(II) tetrafluoroborate (CAS 1150113-24-8)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-fluorophenyl)methanone (CAS 898761-79-0)
- 2-((2-(Dimethylamino)ethyl)thio)-5,6-dimethylpyrimidin-4(1H)-one (CAS 785714-85-4)
- tert-butyl N-[1-(iodomethyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamate (CAS 2701680-05-7)
- Methyl 3-oxo-3-(trimethyl-1h-pyrazol-4-yl)propanoate (CAS 1541359-51-6)
- [Nva12]-Tirzepatide (CAS CATO-C4X-324042)
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