4-CHLORO-3-(ETHYLCARBAMOYL)PHENYLBORONIC ACID
- Iupac Name：oxalic acid
- CAS No.: 144-62-7
- Molecular Weight：90.03
- Modify Date.: 2022-04-14 13:54
1. Names and Identifiers
- 1.1 Name
- 4-CHLORO-3-(ETHYLCARBAMOYL)PHENYLBORONIC ACID
- 1.2 Synonyms
4-CHLORO-3-(ETHYLCARBAMOYL)PHENYLBORONIC ACID Boronic acid, B-[4-chloro-3-[(ethylamino)carbonyl]phenyl]- N-ETHYL 2-CHLORO-5-BORONOBENZAMIDE N-Ethyl 5-borono-2-chlorobenzamide
- 1.3 CAS No.
- 144-62-7
- 1.4 CID
- 971
- 1.5 Molecular Formula
- C10H13BClNO3 (isomer)
- 1.6 Inchi
- InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
- 1.7 InChkey
- MUBZPKHOEPUJKR-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C(=O)(C(=O)O)O
- 1.9 Isomers Smiles
- C(=O)(C(=O)O)O
2. Properties
- 3.1 Density
- 1.17
- 3.1 Melting point
- 189.5 °C (dec.)(lit.)
- 3.1 Boiling point
- 351.2°C at 760 mmHg
- 3.1 Refractive index
- 1.4261 (estimate)
- 3.1 Flash Point
- 229.4°C
- 3.1 Vapour pressure
- <0.01 mm Hg ( 20 °C)
- 3.1 Precise Quality
- 89.99530
- 3.1 PSA
- 74.60000
- 3.1 logP
- -0.84440
- 3.1 Storage
- Ambient temperatures.
3. Safety and Handling
- 4.1 Symbol
- GHS05;GHS07;
- 4.1 Signal Word
- DANGER
- 4.1 Risk Statements
- 21/22-63-34-41
- 4.1 Safety Statements
- 24/25-23-36/37/39-27-26-39-37-36-36/37
- 4.1 Packing Group
- III
- 4.1 Hazard Class
- 8
- 4.1 Hazard Declaration
- H302 + H312; H318
- 4.1 RIDADR
- UN 3261 8/PG 3
- 4.1 Caution Statement
- P280-P305 + P351 + P338
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- RO2450000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Acute toxicity - Dermal, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H312 Harmful in contact with skin |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 90.03g/mol
- Molecular Formula: C10H13BClNO3
- Compound Is Canonicalized: True
- XLogP3-AA: -0.3
- Exact Mass: 89.99530854
- Monoisotopic Mass: 89.99530854
- Complexity: 71.5
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 74.6
- Heavy Atom Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcQBAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAACAAAAAAAgAAACAAAAgAIAACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
-
So start by looking at the chemical equation. You can see that 2 mols of potassium hydroxide reacts with 1 mol of oxalic acid (this ratio must be respected). Next we need to calculate the number of mols of oxalic acid. no. of mols = molar mass (g) / relative molecular mass = 1.275 / 90.03 = 0.014 m...
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Potassium permanganate vs oxalic acid titration is a Redox titration, not an acid-base titration. Here, oxalic acid acts the role of reducing agent and permanganate acts as an oxidizing agent. [MnO4- + 8H+ + 5e →Mn^2+ + 4H2O] ×2 (reduction half reaction) [C2O4^2- → 2CO2 + 2e]×5 (oxidation half ...
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Oxalate is a chemical compound that occurs naturally in nearly every plant to some degree, including fruit plants, vegetables, and grains. Oxalate is usually found in leaves or bark, where the compound binds to calcium to remove it when plants go through their seasonal season. In the human body, ox...
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Sodium oxalate is a primary standard to evaluate the normality or molarity of permanganate solutions. The involved reaction is: 5NaOOC-COONa + 8H2SO4 + 2KMnO4 → K2SO4 + 5Na2SO4 + 10CO2 + 8H2O + 2MnSO4 Oxalic acid cannot react with thiosulphate because both are reducing agents.
8. Realated Product Infomation
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