CAS Number3855-82-1
Synonyms1,4-dichloro-2,3,5,6-tetradeuteriobenzene; MFCD00000605; 1,4-Dichloro(H)benzene; Tetradeutero-1,4-dichlorobenzene; 1,4-Dichloro-2,3,5,6-tetradeuterobenzene
Molecular FormulaC6Cl2D4
Molecular Weight151.03
Density1.3±0.1 g/cm3
Boiling Point174.1±0.0 °C at 760 mmHg
Melting Point52-54ºC(lit.)
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3855-82-1 |
| Catalog No. | 2A-1190124 |
| Chinese Name | 氘代对二氯苯 |
| Synonyms | 1,4-dichloro-2,3,5,6-tetradeuteriobenzene; MFCD00000605; 1,4-Dichloro(H)benzene; Tetradeutero-1,4-dichlorobenzene; 1,4-Dichloro-2,3,5,6-tetradeuterobenzene |
| Molecular Formula | C6Cl2D4 |
| Molecular Weight | 151.03 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 174.1±0.0 °C at 760 mmHg |
| Melting Point | 52-54ºC(lit.) |
| Storage Condition | 0-6℃, avoid light, ventilated and dry place, seale |
| Packaging | III |
| Application | 1,4-Dichlorobenzene-d4 is deuterium labeled 1,4-dichlorobenzene [1]. 1,4-Dichlorobenzene is used as an intermediate in the production of pigments, pesticides and disinfectants. 1,4-Dichlorobenzene is |
| PubChem ID | 24859784 |
| MDL Number | MFCD00000605 |
| SMILES | Clc1ccc(Cl)cc1 |
| InChI | InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D |
| InChI Key | OCJBOOLMMGQPQU-RHQRLBAQSA-N |
| Beilstein/REAXYS | 2047072 |
| NACRES Code | NA.12 |
| UNSPSC | 12142201 |
| Hazard Symbols | transportation |
| Bioactivity | 1,4-Dichlorobenzene-d4 is the deuterium labeled 1,4-Dichlorobenzene[1]. 1,4-Dichlorobenzene is used as an intermediate product in the manufacture of pigments, pesticides and disinfectants. 1,4-Dichlorobenzene is also employed as a moth control agent[2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. References [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. M. Tschickardt. Dichlorobenzene isomers (1,2-dichlorobenzene, 1,3-dichlorobenzene and 1,4 dichlorobenzene). Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 174.1±0.0 °C at 760 mmHg Melting Point 52-54ºC(lit.) Molecular Formula C6Cl2D4 Molecular Weight 151.027 Flash Point 65.6±0.0 °C Exact Mass 149.994110 LogP 3.34 Vapour Pressure 1.6±0.3 mmHg at 25°C Index of Refraction 1.549 InChIKey OCJBOOLMMGQPQU-RHQRLBAQSA-N SMILES Clc1ccc(Cl)cc1 Storage condition 0-6°C |
| Use of | 1,4-Dichlorobenzene-d4 is the deuterium labeled 1,4-Dichlorobenzene[1]. 1,4-Dichlorobenzene is used as an intermediate product in the manufacture of pigments, pesticides and disinfectants. 1,4-Dichlorobenzene is also employed as a moth control agent[2]. Properties Name 1,4-Dichlorobenzene-d4 Synonym More Synonyms 1,4-Dichloro(2H4)benzene Biological Activity Description 1,4-Dichlorobenzene-d4 is the deuterium labeled 1,4-Dichlorobenzene[1]. 1,4-Dichlorobenzene is used as an intermediate product in the manufacture of pigments, pesticides and disinfectants. 1,4-Dichlorobenzene is also employed as a moth control agent[2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. References [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. M. Tschickardt. Dichlorobenzene isomers (1,2-dichlorobenzene, 1,3-dichlorobenzene and 1,4 dichlorobenzene). Chemical & Physical Properties Exact Mass 149.994110 Index of Refraction 1.549 InChIKey OCJBOOLMMGQPQU-RHQRLBAQSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1,4-Dichlorobenzene- d4) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1,4-Dichlorobenzene- d4) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (1,4-Dichlorobenzene-d4) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users No data available |
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