Cas no 66505-09-7 (Methyl 2-bromo-2-(p-tolyl)acetate)
66505-09-7 structure
Product Name:Methyl 2-bromo-2-(p-tolyl)acetate
CAS No:66505-09-7
MF:C10H11BrO2
MW:243.097142457962
CID:964118
PubChem ID:10490396
Update Time:2025-04-19
Methyl 2-bromo-2-(p-tolyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-bromo-2-(p-tolyl)acetate
- bromo-p-tolyl-acetic acid methyl ester
- 66505-09-7
- FCYCFLODHZGXDV-UHFFFAOYSA-N
- methyl 2-bromo-2-p-tolylacetate
- Methyl2-bromo-2-(p-tolyl)acetate
- SCHEMBL4776154
- AKOS015891414
- FT-0741972
- DB-014724
-
- Inchi： 1S/C10H11BrO2/c1-7-3-5-8(6-4-7)9(11)10(12)13-2/h3-6,9H,1-2H3
- InChI Key： FCYCFLODHZGXDV-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OC)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 241.99400
- Monoisotopic Mass: 241.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.41
- Boiling Point: 272.782°C at 760 mmHg
- Flash Point: 118.775°C
- Refractive Index: 1.548
- PSA: 26.30000
- LogP: 2.60400
Methyl 2-bromo-2-(p-tolyl)acetate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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