5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium (CAS 51981-33-0) — formula C11H12ClNO4S, molecular weight 289.74; category organic chemicals.
| CAS Number | 51981-33-0 |
|---|---|
| Molecular Formula | C11H12ClNO4S |
| Molecular Weight | 289.74 |
| LogP | 2 |
| Category | Organic Chemicals |
5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium is a carbon-based organic compound with CAS registry number 51981-33-0 and molecular formula C11H12ClNO4S (molecular weight 289.74), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51981-33-0
Its molecular formula C11H12ClNO4S comprises 11 C, 12 H, 1 Cl, 1 N, 4 O, 1 S atoms.
Also known as: 5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium · 5-氯-2-甲基-3-(3-磺基丙基)苯并恶唑鎓
Category: organic chemicals
The CAS registry number of 5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium is 51981-33-0.
Molecular formula C11H12ClNO4S, molecular weight 289.74.
It is also registered under: 5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium, 5-氯-2-甲基-3-(3-磺基丙基)苯并恶唑鎓.
Category: Organic Chemicals.
Independent reference data for 5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium (CAS 51981-33-0), compiled from public chemistry databases.
| CAS Registry Number | 51981-33-0 |
|---|---|
| PubChem CID | 104039 |
| Molecular formula | C11H12ClNO4S |
| IUPAC name | 3-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate |
| UNII (FDA) | D2V69QDG5D |
| Molecular Weight | 289.74 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 289.0175567 |
| Monoisotopic Mass | 289.0175567 |
| Topological Polar Surface Area | 82.6 |
| Heavy Atom Count | 18 |
5-Chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium; Benzoxazolium, 5-chloro-2-methyl-3-(3-sulfopropyl)-, inner salt; D2V69QDG5D; DTXSID6068696; EINECS 257-574-2; Benzoxazolium, 5-chloro-2-methyl-3-(3-sulfopropyl)-, hydroxide, inner salt; RefChem:118757; DTXCID8041115; 257-574-2; 3-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate; BAS 00107574; UNII-D2V69QDG5D; FGLWJZIQGDRVHX-UHFFFAOYSA-N; AKOS000546861; NS00059157; 3-(5-Chloro-2-methylbenzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate
| Reported hazard statements | H302 (100%), H312 (14.3%), H314 (14.3%), H318 (85.7%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium · CAS 51981-33-0 · C11H12ClNO4S. UNII D2V69QDG5D.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-氯-2-甲基-3-(3-磺基丙基)苯并恶唑鎓