CAS Number1423-10-5
SynonymsMonofluorobenzene; EINECS 215-831-6; DE825; perdeuteriofluorobenzene; 1-fluorobenzene; MFCD00000281; Fluorobenzene; d5-fluorobenzene; BENZENYL FLUORIDE; Fluorobenzene [UN2387] [Flammable liquid]; Fluorobenzene-d5; pentadeuterio-fluoro-benzene
Molecular FormulaC6D5F
Molecular Weight96.102
Purity96.00%%
Density1.0±0.1 g/cm3
Boiling Point84.7±9.0 °C at 760 mmHg
Melting Point-42ºC
AppearanceTransparent colorless liquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1423-10-5 |
| Catalog No. | 2A-9092865 |
| Chinese Name | 氟(代)苯-d5 |
| Synonyms | Monofluorobenzene; EINECS 215-831-6; DE825; perdeuteriofluorobenzene; 1-fluorobenzene; MFCD00000281; Fluorobenzene; d5-fluorobenzene; BENZENYL FLUORIDE; Fluorobenzene [UN2387] [Flammable liquid]; Fluorobenzene-d5; pentadeuterio-fluoro-benzene |
| Molecular Formula | C6D5F |
| Molecular Weight | 96.102 |
| Purity | 96.00% |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 84.7±9.0 °C at 760 mmHg |
| Melting Point | -42ºC |
| Appearance | Transparent colorless liquid |
| Storage Condition | Room temperature, avoid light, ventilated and dry |
| Application | Fluorobenzene-d5 is deuterium-labeled fluorobenzene-d5[1]. |
| PubChem ID | 3137221 |
| SMILES | Fc1ccccc1 |
| InChI | InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D |
| InChI Key | PYLWMHQQBFSUBP-RALIUCGRSA-N |
| Hazard Symbols | transportation |
| Bioactivity | Fluorobenzene-d5 is the deuterium labeled Fluorobenzene-d5[1]. 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. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 84.7±9.0 °C at 760 mmHg Melting Point -42ºC Molecular Formula C6D5F Molecular Weight 96.102 Flash Point -12.8±0.0 °C Exact Mass 96.037529 LogP 2.27 Vapour Pressure 79.9±0.1 mmHg at 25°C Index of Refraction 1.473 InChIKey PYLWMHQQBFSUBP-RALIUCGRSA-N SMILES Fc1ccccc1 |
| Use of | Fluorobenzene-d5 is the deuterium labeled Fluorobenzene-d5[1]. Properties Name 1,2,3,4,5-pentadeuterio-6-fluorobenzene Synonym More Synonyms Fluorobenzene Biological Activity Description Fluorobenzene-d5 is the deuterium labeled Fluorobenzene-d5[1]. 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. Chemical & Physical Properties Molecular Formula C6D5F Exact Mass 96.037529 Index of Refraction 1.473 InChIKey PYLWMHQQBFSUBP-RALIUCGRSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2387 International Dangerous Regulations for sea transport: 2387 International Dangerous Regulations for air transport: 2387 14.2 United Nations shipping name European Land Transport Danger Regulations: FLUOROBENZENE IMDG: FLUOROBENZENE International Air Transport Danger Regulations: Fluorobenzene 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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