monomethyl 5-nitroisophthalate (CAS 1955-46-0) — formula C9H7NO6, molecular weight 225.15; category organic chemicals.
| CAS Number | 1955-46-0 |
|---|---|
| Molecular Formula | C9H7NO6 |
| Molecular Weight | 225.15 |
| LogP | 1.5 |
| Applications | General Manufacturing Information: 1, 3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 1, 3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester: ACTIVE.
monomethyl 5-nitroisophthalate is a carbon-based organic compound with CAS registry number 1955-46-0 and molecular formula C9H7NO6 (molecular weight 225.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1955-46-0
Its molecular formula C9H7NO6 comprises 9 C, 7 H, 1 N, 6 O atoms.
Also known as: monomethyl 5-nitroisophthalate · 5-硝基间苯二甲酸单甲酯
Category: organic chemicals
The CAS registry number of monomethyl 5-nitroisophthalate is 1955-46-0.
Molecular formula C9H7NO6, molecular weight 225.15.
It is also registered under: monomethyl 5-nitroisophthalate, 5-硝基间苯二甲酸单甲酯.
Recorded applications: General Manufacturing Information: 1, 3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for monomethyl 5-nitroisophthalate (CAS 1955-46-0), compiled from public chemistry databases.
| CAS Registry Number | 1955-46-0 |
|---|---|
| PubChem CID | 74776 |
| Molecular formula | C9H7NO6 |
| IUPAC name | 3-methoxycarbonyl-5-nitrobenzoic acid |
| UNII (FDA) | V8UVV7P68X |
| Molecular Weight | 225.15 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 225.02733694 |
| Monoisotopic Mass | 225.02733694 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 16 |
1955-46-0; 5-Nitroisophthalic acid monomethyl ester; Monomethyl 5-nitroisophthalate; 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester; V8UVV7P68X; 5-Nitroisophthalic acid, monomethyl ester; DTXSID50883784; Methyl 5-nitrohydrogen.isophthalate; EINECS 217-793-6; EC 217-793-6; 5-NITRO-1,3-BENZENEDICARBOXYLIC ACID METHYL ESTER; RefChem:412956; DTXCID801023271; 3-(Methoxycarbonyl)-5-nitrobenzoic acid; Methyl 5-nitroisophthalate; Mono-methyl 5-nitroisophthalate
| GHS notification summary | 37.5% (3 / 8) |
|---|
| GHS notification summary | 37.5% (3 / 8) |
|---|---|
| Reported hazard statements | H302 (12.5%), H315 (50%), H319 (50%), H335 (12.5%) |
This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
monomethyl 5-nitroisophthalate · CAS 1955-46-0 · C9H7NO6. UNII V8UVV7P68X.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-硝基间苯二甲酸单甲酯