Benzoic acid, 2-bromo-,1,1-dimethylethyl ester (CAS 55666-42-7) — formula C11H13BrO2, molecular weight 257.12; category organic chemicals.
| CAS Number | 55666-42-7 |
|---|---|
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.12 |
| LogP | 3.5 |
| Category | Organic Chemicals |
Benzoic acid, 2-bromo-,1,1-dimethylethyl ester is a carbon-based organic compound with CAS registry number 55666-42-7 and molecular formula C11H13BrO2 (molecular weight 257.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 55666-42-7
Its molecular formula C11H13BrO2 comprises 11 C, 13 H, 1 Br, 2 O atoms.
Also known as: Benzoic acid, 2-bromo-,1,1-dimethylethyl ester · 苯甲酸，2-溴-,1,1-二甲基乙酯
Category: organic chemicals
The CAS registry number of Benzoic acid, 2-bromo-,1,1-dimethylethyl ester is 55666-42-7.
Molecular formula C11H13BrO2, molecular weight 257.12.
It is also registered under: Benzoic acid, 2-bromo-,1,1-dimethylethyl ester, 苯甲酸，2-溴-,1,1-二甲基乙酯.
Category: Organic Chemicals.
Independent reference data for Benzoic acid, 2-bromo-,1,1-dimethylethyl ester (CAS 55666-42-7), compiled from public chemistry databases.
| CAS Registry Number | 55666-42-7 |
|---|---|
| PubChem CID | 3804415 |
| Molecular formula | C11H13BrO2 |
| IUPAC name | tert-butyl 2-bromobenzoate |
| Molecular Weight | 257.12 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 256.00989 |
| Monoisotopic Mass | 256.00989 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
tert-butyl 2-bromobenzoate; 55666-42-7; DTXSID20396674; RefChem:188184; DTXCID50347533; 666-112-2; TERT-BUTYL-2-BROMOBENZOATE; MFCD00027950; tert-butyl2-bromobenzoate; Benzoic acid, 2-bromo-, 1,1-dimethylethyl ester; 2-Bromobenzoic acid tert-butyl ester; SCHEMBL488979; AB3324; AKOS013211630; AB01484; AS-19873
| Reported hazard statements | H400 (95%) |
|---|
H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Benzoic acid, 2-bromo-,1,1-dimethylethyl ester · CAS 55666-42-7 · C11H13BrO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯甲酸，2-溴-,1,1-二甲基乙酯