异噻唑啉酮(CAS 26172-55-4):分子式 C4H4ClNOS、分子量 149.60。
| CAS号 | 26172-55-4 |
|---|---|
| 分子式 | C4H4ClNOS |
| 分子量 | 149.60 |
| 熔点 | 54-55 °C |
| LogP | log Kow = 0.401 at 24 °C |
异噻唑啉酮 是一种化工化合物,登记 CAS 号为 26172-55-4,分子式 C4H4ClNOS(分子量 149.60)。
登记 CAS 号:26172-55-4
其分子式 C4H4ClNOS 由 4 个碳、4 个氢、1 个氯、1 个氮、1 个氧、1 个硫 组成。
别名/同义词:异噻唑啉酮 · Methylchloroisothiazolinone
异噻唑啉酮 的 CAS 登记号为 26172-55-4。
分子式 C4H4ClNOS,分子量 149.60。
别名/同义词:异噻唑啉酮、Methylchloroisothiazolinone。
异噻唑啉酮(CAS 26172-55-4)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 26172-55-4 |
|---|---|
| PubChem CID | 33344 |
| Molecular formula | C4H4ClNOS |
| Molecular weight | 148.97 g/mol |
| IUPAC name | 5-chloro-2-methyl-1,2-thiazol-3-one |
| InChIKey | DHNRXBZYEKSXIM-UHFFFAOYSA-N |
| UNII (FDA) | DEL7T5QRPN |
| ChEBI ID | CHEBI:53621 |
| Molecular Weight | 149.60 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 148.9702126 |
| Monoisotopic Mass | 148.9702126 |
| Topological Polar Surface Area | 45.6 |
| Heavy Atom Count | 8 |
| Melting Point | 54-55 °C |
|---|---|
| Solubility | In water, 706-751 g/L at 20 °C |
| Vapor Pressure | 0.018 mm Hg at 25 °C |
| LogP | log Kow = 0.401 at 24 °C |
5-Chloro-2-methyl-4-isothiazolin-3-one; 26172-55-4; Methylchloroisothiazolinone; CMIT; 5-Chloro-2-methyl-3(2H)-isothiazolone; 5-Chloro-2-methyl-3-isothiazolone; Kathon CG 5243; 3(2H)-Isothiazolone, 5-chloro-2-methyl-; 5-chloro-N-methylisothiazolone; 5-chloro-2-methylisothiazolin-3-one; 5-chloro-n-methylisothiazolin-3-one; HS 818; n-methyl-5-chloroisothiazolone; DEL7T5QRPN; DTXSID9034286; 4-ISOTHIAZOLIN-3-ONE, 5-CHLORO-2-METHYL-
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS CIR / INCI: Cosmetic ingredients (Methylchloroisothiazolinone) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative |
|---|---|
| GHS notification summary | 1.3% (31 / 2393) |
| GHS notification summary | 1.3% (31 / 2393) |
|---|---|
| Reported hazard statements | H300 (20.2%), H301, H311 (24%), H310 (31.2%), H314 (98.3%), H317 (98.4%), H318 (64.9%), H330 (38.7%) |
This chemical does not meet GHS hazard criteria for 1.3% (31 of 2393) of reports.
H300 (20.2%): Fatal if swallowed [Danger Acute toxicity, oral]
Methylchloroisothiazolinone is identified by CAS 26172-55-4, molecular formula C4H4ClNOS and molecular weight 148.97 g/mol. UNII DEL7T5QRPN; ChEBI 53621; InChIKey DHNRXBZYEKSXIM-UHFFFAOYSA-N. Melting Point: 54-55 °C; Solubility: In water, 706-751 g/L at 20 °C; Vapor Pressure: 0.018 mm Hg at 25 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Methylchloroisothiazolinone