3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮（CAS 77439-76-0）：分子式 C5H3Cl3O3、分子量 217.43。
| CAS号 | 77439-76-0 |
|---|---|
| 分子式 | C5H3Cl3O3 |
| 分子量 | 217.43 |
| LogP | 1.2 |
| 应用领域 | Uses: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is not known to be produced commercially except for research purposes.、General Manufacturing Information: Disinfection byproducts are formed when disinfectants used in water treatment plants react with bromide and、or natural organic matter (i.e.、decaying vegetation) present in the source water.、Disinfection byproducts、A project to isolate and identify the mutagenic components formed in pulp chlorination was initiated in 1979 at the Pulp and Paper Research Institute of Canada. Mutagenicity of the concentrates and fractions from the pulp chlorination process were tested for reverse mutations in Salmonella typhimurium strain TA100. Most of the mutagenicity was consistently found in one fraction、suggesting one primary mutagen. Because analytical techniques were not sufficiently advanced to easily identify the compound、the compound was called "Mutagen X" or "MX" After about a year of additional work、the chemical identity of MX was determined to be 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone.、In acidic solutions MX is a furanone、but at physiological pH it exists primarily in a ring-open form、namely Z-2-chloro-3-(dichloromethyl)-4-oxo-butenoic acid (z-MX)、a fraction of which undergoes isomerization to its geometric isomer (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid (EMX). |
登记用途：Uses: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is not known to be produced commercially except for research purposes.、General Manufacturing Information: Disinfection byproducts are formed when disinfectants used in water treatment plants react with bromide and、or natural organic matter (i.e.、decaying vegetation) present in the source water.、Disinfection byproducts、A project to isolate and identify the mutagenic components formed in pulp chlorination was initiated in 1979 at the Pulp and Paper Research Institute of Canada. Mutagenicity of the concentrates and fractions from the pulp chlorination process were tested for reverse mutations in Salmonella typhimurium strain TA100. Most of the mutagenicity was consistently found in one fraction、suggesting one primary mutagen. Because analytical techniques were not sufficiently advanced to easily identify the compound、the compound was called "Mutagen X" or "MX" After about a year of additional work、the chemical identity of MX was determined to be 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone.、In acidic solutions MX is a furanone、but at physiological pH it exists primarily in a ring-open form、namely Z-2-chloro-3-(dichloromethyl)-4-oxo-butenoic acid (z-MX)、a fraction of which undergoes isomerization to its geometric isomer (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid (EMX).。
3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮 是一种化工化合物，登记 CAS 号为 77439-76-0，分子式 C5H3Cl3O3（分子量 217.43）。
登记 CAS 号：77439-76-0
其分子式 C5H3Cl3O3 由 5 个碳、3 个氢、3 个氯、3 个氧 组成。
别名/同义词：3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮 · 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮 的 CAS 登记号为 77439-76-0。
分子式 C5H3Cl3O3，分子量 217.43。
别名/同义词：3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮、3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone。
登记用途：Uses: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is not known to be produced commercially except for research purposes.、General Manufacturing Information: Disinfection byproducts are formed when disinfectants used in water treatment plants react with bromide and、or natural organic matter (i.e.、decaying vegetation) present in the source water.、Disinfection byproducts、A project to isolate and identify the mutagenic components formed in pulp chlorination was initiated in 1979 at the Pulp and Paper Research Institute of Canada. Mutagenicity of the concentrates and fractions from the pulp chlorination process were tested for reverse mutations in Salmonella typhimurium strain TA100. Most of the mutagenicity was consistently found in one fraction、suggesting one primary mutagen. Because analytical techniques were not sufficiently advanced to easily identify the compound、the compound was called "Mutagen X" or "MX" After about a year of additional work、the chemical identity of MX was determined to be 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone.、In acidic solutions MX is a furanone、but at physiological pH it exists primarily in a ring-open form、namely Z-2-chloro-3-(dichloromethyl)-4-oxo-butenoic acid (z-MX)、a fraction of which undergoes isomerization to its geometric isomer (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid (EMX).。
3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮（CAS 77439-76-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 77439-76-0 |
|---|---|
| PubChem CID | 53665 |
| Molecular formula | C5H3Cl3O3 |
| IUPAC name | 4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one |
| UNII (FDA) | SSD7YR4366 |
| Molecular Weight | 217.43 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 215.914777 |
| Monoisotopic Mass | 215.914777 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 11 |
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone; 77439-76-0; Mutagen X; MX mutagen; 3-DCHFO; DTXSID6020276; Chloro(dichloromethyl)-5-hydroxy-2(5H)-furanone; 3-Chloro-4-dichloromethyl-5-hydroxy-2-furanone; SSD7YR4366; DTXCID40276; RefChem:499908; 3-chloro-4-(dichloromethyl)-5-hydroxyfuran-2(5H)-one; 4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one; 3-Chloro-4-dichloromethyl-5-hydroxy-2(5H)-furanone; 2(5H)-Furanone, 3-chloro-4-dichloromethyl-5-hydroxy-; 3-chloro-4-(dichloromethyl)-5-hydroxy-2,5-dihydrofuran-2-one
| Reported hazard statements | H301, H310, H351, H370 |
|---|
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H310: Fatal in contact with skin [Danger Acute toxicity, dermal]
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone · CAS 77439-76-0 · C5H3Cl3O3. UNII SSD7YR4366.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone