BENZOICACID-D5(RING-D5)
Benzoic-d5 acid
CAS: 1079-02-3
Molecular Formula: C7HD5O2
BENZOICACID-D5(RING-D5) - Names and Identifiers
| Name | Benzoic-d5 acid |
| Synonyms | Benzoic-d5 acid BENZOIC ACID-D5 BENZOIC-D5 ACID (2H5)benzoic acid BENZOIC ACID (RING-D5) BENZOICACID-D5(RING-D5) Deuterated benzoic acid BENZOIC ACID-D5 (RING-D5) Benzoic acid-2,3,4,5,6-d5,Benzoic-d5 acid (phenyl-d5) |
| CAS | 1079-02-3 |
| EINECS | 214-089-0 |
| InChI | InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D |
BENZOICACID-D5(RING-D5) - Physico-chemical Properties
| Molecular Formula | C7HD5O2 |
| Molar Mass | 127.15 |
| Density | 1.247g/cm3 |
| Melting Point | 121-125°C(lit.) |
| Boling Point | 249°C(lit.) |
| Flash Point | 111.4°C |
| Solubility | Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan |
| Vapor Presure | 0.0122mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| Storage Condition | Refrigerator |
| Refractive Index | 1.564 |
BENZOICACID-D5(RING-D5) - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R42/43 - May cause sensitization by inhalation and skin contact. |
| Safety Description | S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 28459010 |
BENZOICACID-D5(RING-D5) - Upstream Downstream Industry
| Raw Materials | TEREPHTHALIC-D4 ACID CARBON DIOXIDE BENZENE-D6 |
| Downstream Products | BENZYL-D7 ALCOHOL |
BENZOICACID-D5(RING-D5) - Reference Information
Open Data Unverified Data
| overview | deuteration reaction has a wide range of applications in the pharmaceutical industry. First of all, the use of deuterated reactions for isotope-labeled drugs because of its characteristic radioactive absorption, can use a specific beta nuclear detector to detect and track the changes in the position, quantity and transformation of the drug in the body, which is pharmacology, The theoretical research of drug metabolism and other related disciplines provides an effective and reliable experimental basis. Secondly, in exploring the mechanism of some organic reactions, the hydrogen at a specific position in the reactant is subjected to deuteration reaction so that the whereabouts of the deuterium atom can be traced, which is used as a basis to explain some difficult-to-study organic chemical reaction mechanisms. |
| Preparation | Using deuterated acetic acid as deuterated reagent, dichloro (pentamethylcyclopentadienyl) iridium (III) dimer as a catalyst, deuterated reaction is carried out at 30°C in a mixed solvent of n-propanol and heavy water to generate deuterated benzoic acid. For example, ortho-deuterated ortho-methylbenzoic acid has a 93% yield and a 40% ortho-deuterated rate. |
| auto-ignition temperature | 1061 °F |
Last Update：2024-04-09 19:43:38
BENZOICACID-D5(RING-D5) - Uses and synthesis methods
overview
deuterium reaction has a wide range of applications in the pharmaceutical industry. First of all, the use of deuterated reactions for isotope-labeled drugs because of its characteristic radioactive absorption, can use a specific beta nuclear detector to detect and track the changes in the position, quantity and transformation of the drug in the body, which is pharmacology, The theoretical research of drug metabolism and other related disciplines provides an effective and reliable experimental basis. Secondly, in exploring the mechanism of some organic reactions, the hydrogen at a specific position in the reactant is subjected to deuteration reaction so that the whereabouts of the deuterium atom can be traced, which is used as a basis to explain some difficult organic chemical reaction mechanisms.
Preparation
Using deuterated acetic acid as deuterated reagent, dichloro (pentamethylcyclopentadienyl) iridium (III) dimer as catalyst, deuterated reaction is carried out at 30°C in a mixed solvent of n-propanol and heavy water to produce deuterated benzoic acid. For example, ortho-deuterated ortho-methylbenzoic acid has a 93% yield and a 40% ortho-deuterated rate.
Last Update：2024-04-10 22:29:15
BENZOICACID-D5(RING-D5) - Security information
| auto-ignition temperature | 1061 °F |
Last Update：2024-04-10 22:29:15
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View History
BENZOICACID-D5(RING-D5)
Bischloric acid calcium salt
Furfuryl methyl sulfide
331-89-5
2-Phenylethyl Caprylate
Bischloric acid calcium salt
Furfuryl methyl sulfide
331-89-5
2-Phenylethyl Caprylate
Raw Materials for BENZOICACID-D5(RING-D5)
Downstream Products for BENZOICACID-D5(RING-D5)