Methyl 2-nitro-3,4,5-trimethoxybenzoate (CAS 5081-42-5) — formula C11H13NO7, molecular weight 271.22; category organic chemicals.
| CAS Number | 5081-42-5 |
|---|---|
| Molecular Formula | C11H13NO7 |
| Molecular Weight | 271.22 |
| LogP | 1.5 |
| Category | Organic Chemicals |
Methyl 2-nitro-3,4,5-trimethoxybenzoate is a carbon-based organic compound with CAS registry number 5081-42-5 and molecular formula C11H13NO7 (molecular weight 271.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5081-42-5
Its molecular formula C11H13NO7 comprises 11 C, 13 H, 1 N, 7 O atoms.
Also known as: Methyl 2-nitro-3,4,5-trimethoxybenzoate · 2-硝基-3,4,5-三甲氧基苯甲酸甲酯
Category: organic chemicals
The CAS registry number of Methyl 2-nitro-3,4,5-trimethoxybenzoate is 5081-42-5.
Molecular formula C11H13NO7, molecular weight 271.22.
It is also registered under: Methyl 2-nitro-3,4,5-trimethoxybenzoate, 2-硝基-3,4,5-三甲氧基苯甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for Methyl 2-nitro-3,4,5-trimethoxybenzoate (CAS 5081-42-5), compiled from public chemistry databases.
| CAS Registry Number | 5081-42-5 |
|---|---|
| PubChem CID | 78765 |
| Molecular formula | C11H13NO7 |
| IUPAC name | methyl 3,4,5-trimethoxy-2-nitrobenzoate |
| UNII (FDA) | BC6PHE5AUM |
| Molecular Weight | 271.22 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 271.06920175 |
| Monoisotopic Mass | 271.06920175 |
| Topological Polar Surface Area | 99.8 |
| Heavy Atom Count | 19 |
5081-42-5; Methyl 3,4,5-trimethoxy-2-nitrobenzoate; Methyl 2-nitro-3,4,5-trimethoxybenzoate; Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester; 2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester; EINECS 225-794-8; NSC 20282; DTXSID1063695; HCEIEWYPDCDNNU-UHFFFAOYSA-; RefChem:118376; DTXCID5040916; 225-794-8; HCEIEWYPDCDNNU-UHFFFAOYSA-N; InChI=1/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3; Methyl 6-nitro-3,4,5-trimethoxybenzoate; 3,4,5-Trimethoxy-2-nitrobenzoic acid methyl ester
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Methyl 2-nitro-3,4,5-trimethoxybenzoate · CAS 5081-42-5 · C11H13NO7. UNII BC6PHE5AUM.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-硝基-3,4,5-三甲氧基苯甲酸甲酯