CAS
54451-98-8 Purity
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54451-98-8 Purity
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Ethyl 2-bromo-2-(4-chlorophenyl)acetate
CAS
5445-25-0
Catalog Number
ACM5445250
Category
Other Products
Molecular Weight
277.542200 [g/mol]
Molecular Formula
C10H10BrClO2
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Specification
Synonyms
NSC21985, CID228840, 5445-25-0
IUPAC Name
ethyl 2-bromo-2-(4-chlorophenyl)acetate
Canonical SMILES
CCOC(=O)C(C1=CC=C(C=C1)Cl)Br
InChI Key
CZAZDSRFJOHLCK-UHFFFAOYSA-N
Boiling Point
304.8ºC at 760 mmHg
Flash Point
138.1ºC
Density
1.503g/cm³
Exact Mass
275.95500
H-Bond Acceptor
2
H-Bond Donor
0
Upstream Synthesis Route 1
- 14062-24-9
- 5445-25-0
Reference: [1] Australian Journal of Chemistry, 1997, vol. 50, # 8, p. 813 - 823
[2] Journal of Medicinal Chemistry, 1981, vol. 24, # 5, p. 481 - 490
[3] Journal of Organic Chemistry, 2011, vol. 76, # 23, p. 9670 - 9677
Upstream Synthesis Route 2
- 13511-29-0
- 5445-25-0
Reference: [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 23, p. 3738 - 3742
Upstream Synthesis Route 3
- 104-88-1
- 5445-25-0
Reference: [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 23, p. 3738 - 3742
[2] Tetrahedron, 1986, vol. 42, # 8, p. 2275 - 2282
Upstream Synthesis Route 4
- 1878-66-6
- 5445-25-0
Reference: [1]Julia
[Bulletin de la Societe Chimique de France, 1956, p. 776,780, 781]
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