Quinoline-6-boronic acid
- Iupac Name：quinolin-6-ylboronic acid
- CAS No.: 376581-24-7
- Molecular Weight：172.978
- Modify Date.: 2022-11-25 05:17
1. Names and Identifiers
- 1.1 Name
- Quinoline-6-boronic acid
- 1.2 Synonyms
6-QUINOLINBORONIC ACID 6-Quinolineboronicaid 6-Quinolinylboronic Acid (contains varying amounts of Anhydride) AKOS BRN-0348 Boronic acid, 6-quinolinyl- (9CI) CHEMBRDG-BB 4202093 Quinaline-6-boronic acid QUINOLIN-6-YLBORONIC ACID QUINOLINE-6-BORONIC ACID Quinoline-6-boronic Acid (contains varying amounts of Anhydride)
- 1.3 CAS No.
- 376581-24-7
- 1.4 CID
- 4192671
- 1.5 Molecular Formula
- C9H8BNO2 (isomer)
- 1.6 Inchi
- InChI=1S/C9H8BNO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6,12-13H
- 1.7 InChkey
- JLOLSBLXNMVKGY-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- B(C1=CC2=C(C=C1)N=CC=C2)(O)O
- 1.9 Isomers Smiles
- B(C1=CC2=C(C=C1)N=CC=C2)(O)O
2. Properties
- 2.1 Density
- 1.289
- 2.1 Melting point
- 106-109°C
- 2.1 Boiling point
- 400.261°C at 760 mmHg
- 2.1 Refractive index
- 1.645
- 2.1 Flash Point
- 195.871°C
- 2.1 Precise Quality
- 173.06500
- 2.1 PSA
- 53.35000
- 2.1 logP
- -0.08540
- 2.1 Appearance
- Not Available
- 2.2 Storage
- Keep Cold
- 2.3 Color/Form
- White
- 2.4 pKa
- 7.70±0.30(Predicted)
- 2.5 Water Solubility
- Slightly soluble in water.
- 2.6 StorageTemp
- Keep Cold
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- 26-36/37/39
- 3.1 Hazard Class
- IRRITANT
- 3.1 Safety
-
Safety Information of Quinoline-6-boronic acid (376581-24-7):
Hazard Codes: Xi
Xi: Irritant .gif)
Risk Statements: 36/37/38-36/38
36/37/38: Irritating to eyes, respiratory system and skin
36/38: Irritating to eyes and skin
Safety Statements: 26-36/37/39-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
37/39: Wear suitable gloves and eye/face protection
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Other Information
- 5.0 Usage
- It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
6. Computational chemical data
- Molecular Weight: 172.978g/mol
- Molecular Formula: C9H8BNO2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 173.0648087
- Monoisotopic Mass: 173.0648087
- Complexity: 177
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 53.4
- Heavy Atom Count: 13
- 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: AAADccJyMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAoHAAACAAADAjBHgQ8wPIIEACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
7. Recommended Suppliers
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
- Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
- Tel:86-25-83697070
- Email:sales@chemlin.com.cn
-
- Products:API & API intermediates
- Tel:86-21-33758180
-
- Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences
- Tel:+86-0592-5567629
-
- Products:API, Pharmaceutical intermediates, photoelectronic Materials
- Tel:86-21-60542966
8. Realated Product Infomation
skype
-111YR
