5-TERT-BUTYL METHYLISOPHTHALATE (CAS 161796-10-7) — formula C9H7BrO4, molecular weight 259.05; category organic chemicals.
| CAS Number | 161796-10-7 |
|---|---|
| Molecular Formula | C9H7BrO4 |
| Molecular Weight | 259.05 |
| LogP | 2.5 |
| Category | Organic Chemicals |
5-TERT-BUTYL METHYLISOPHTHALATE is a carbon-based organic compound with CAS registry number 161796-10-7 and molecular formula C9H7BrO4 (molecular weight 259.05), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 161796-10-7
Its molecular formula C9H7BrO4 comprises 9 C, 7 H, 1 Br, 4 O atoms.
Also known as: 5-TERT-BUTYL METHYLISOPHTHALATE · 5-叔丁基甲基间苯二甲酸酯
Category: organic chemicals
The CAS registry number of 5-TERT-BUTYL METHYLISOPHTHALATE is 161796-10-7.
Molecular formula C9H7BrO4, molecular weight 259.05.
It is also registered under: 5-TERT-BUTYL METHYLISOPHTHALATE, 5-叔丁基甲基间苯二甲酸酯.
Category: Organic Chemicals.
Independent reference data for 5-TERT-BUTYL METHYLISOPHTHALATE (CAS 161796-10-7), compiled from public chemistry databases.
| CAS Registry Number | 161796-10-7 |
|---|---|
| PubChem CID | 22593641 |
| Molecular formula | C9H7BrO4 |
| IUPAC name | 3-bromo-5-methoxycarbonylbenzoic acid |
| Molecular Weight | 259.05 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 257.95277 |
| Monoisotopic Mass | 257.95277 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 14 |
3-Bromo-5-(methoxycarbonyl)benzoic acid; 161796-10-7; DTXSID10626694; RefChem:277515; DTXCID80577447; 837-940-3; 3-(Methoxycarbonyl)-5-bromobenzoic acid; MFCD06797598; Methyl 5-bromoisophthalic acid; 3-bromo-5-methoxycarbonylbenzoic acid; 3-Bromo-5-methoxycarbonyl-benzoic acid; SCHEMBL1068820; QIXJVAGZPJKDGY-UHFFFAOYSA-N; AKOS005216350; AB29698; CS-W003344
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
5-TERT-BUTYL METHYLISOPHTHALATE · CAS 161796-10-7 · C9H7BrO4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-叔丁基甲基间苯二甲酸酯