4-Methylsulfonyl-2-nitrobenzoic acid (CAS 110964-79-9) — formula C8H7NO6S, molecular weight 245.21; category organic chemicals.
| CAS Number | 110964-79-9 |
|---|---|
| Molecular Formula | C8H7NO6S |
| Molecular Weight | 245.21 |
| LogP | 0.7 |
| Applications | Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor), General Manufacturing Information: Benzoic acid, 4-(methylsulfonyl)-2-nitro-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor), General Manufacturing Information: Benzoic acid, 4-(methylsulfonyl)-2-nitro-: ACTIVE.
4-Methylsulfonyl-2-nitrobenzoic acid is a carbon-based organic compound with CAS registry number 110964-79-9 and molecular formula C8H7NO6S (molecular weight 245.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 110964-79-9
Its molecular formula C8H7NO6S comprises 8 C, 7 H, 1 N, 6 O, 1 S atoms.
Also known as: 4-Methylsulfonyl-2-nitrobenzoic acid · 4-甲基磺酰基-2-硝基苯甲酸
Category: organic chemicals
The CAS registry number of 4-Methylsulfonyl-2-nitrobenzoic acid is 110964-79-9.
Molecular formula C8H7NO6S, molecular weight 245.21.
It is also registered under: 4-Methylsulfonyl-2-nitrobenzoic acid, 4-甲基磺酰基-2-硝基苯甲酸.
Recorded applications: Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor), General Manufacturing Information: Benzoic acid, 4-(methylsulfonyl)-2-nitro-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4-Methylsulfonyl-2-nitrobenzoic acid (CAS 110964-79-9), compiled from public chemistry databases.
| CAS Registry Number | 110964-79-9 |
|---|---|
| PubChem CID | 184292 |
| Molecular formula | C8H7NO6S |
| IUPAC name | 4-methylsulfonyl-2-nitrobenzoic acid |
| UNII (FDA) | J4SJH38VPA |
| Molecular Weight | 245.21 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 244.99940812 |
| Monoisotopic Mass | 244.99940812 |
| Topological Polar Surface Area | 126 |
| Heavy Atom Count | 16 |
4-(methylsulfonyl)-2-nitrobenzoic acid; 2-nitro-4-methylsulfonylbenzoic acid; 4-methylsulfonyl-2-nitrobenzoic acid; Benzoic acid, 4-(methylsulfonyl)-2-nitro-; EC 601-017-1; RefChem:565929; 601-017-1; 110964-79-9; 2-nitro-4-(methylsulfonyl)benzoic acid; MFCD01941299; 4-(methylsulphonyl)-2-nitrobenzoic acid; 4-(methylsulfonyl)-2-nitrobenzoicacid; AKOS015852491; 4-methylsulphonyl-2-nitrobenzoic acid; EN300-213030; 4-methanesulfonyl-2-nitrobenzoic acid
| Reported hazard statements | H317 (96.4%), H319 (100%) |
|---|
H317 (96.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
4-Methylsulfonyl-2-nitrobenzoic acid · CAS 110964-79-9 · C8H7NO6S. UNII J4SJH38VPA.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲基磺酰基-2-硝基苯甲酸