4-(Bromomethyl)-2(1H)-quinolinone - CAS 4876-10-2
Catalog: |
BB026587 |
Product Name: |
4-(Bromomethyl)-2(1H)-quinolinone |
CAS: |
4876-10-2 |
Synonyms: |
4-(bromomethyl)-1H-quinolin-2-one; 4-(bromomethyl)-1H-quinolin-2-one |
IUPAC Name: | 4-(bromomethyl)-1H-quinolin-2-one |
Description: | 4-(Bromomethyl)-2(1H)-quinolinone (CAS# 4876-10-2) is a reagent used in the preparation of coumarins and 1-aza coumarins which has nti-microbial, anti-inflammatory, and analgesic activities. |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8BrNO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC(=O)N2)CBr |
InChI: | InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13) |
InChI Key: | BBAHJCUCNVVEQU-UHFFFAOYSA-N |
Boiling Point: | 391.8 °C at 760 mmHg |
Density: | 1.542 g/cm3 |
MDL: | MFCD03426152 |
LogP: | 2.83530 |
GHS Hazard Statement: | H314 (83.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113336700-A | Preparation method of rebamipide | 20210615 |
CN-113248429-A | Preparation method of rebamipide bulk drug | 20210601 |
CN-112321444-A | Synthesis method of 4-bromo-3-oxo-N-phenylbutanamide | 20200917 |
CN-111057001-A | Preparation method of quinolone malonate compound | 20191223 |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Quinoline/Isoquinoline
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