4-Bromobutyryl chloride - CAS 927-58-2
Catalog: |
BB040606 |
Product Name: |
4-Bromobutyryl chloride |
CAS: |
927-58-2 |
Synonyms: |
4-bromobutanoyl chloride |
IUPAC Name: | 4-bromobutanoyl chloride |
Description: | 4-Bromobutyryl chloride (CAS# 927-58-2) is used as a reagent in the synthesis of Bepotastine (B317000) which is a histamine H1 receptor antagonist. 4-Bromobutyryl Chloride is also used in the preparation of fimbrolide-nitric oxide donor hybrids as potential antimicrobial agents. |
Molecular Weight: | 185.45 |
Molecular Formula: | C4H6BrClO |
Canonical SMILES: | C(CC(=O)Cl)CBr |
InChI: | InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2 |
InChI Key: | LRTRXDSAJLSRTG-UHFFFAOYSA-N |
Boiling Point: | 101 °C (37 mmHg) |
Purity: | 98 % |
Density: | 1.602 g/cm3 |
Appearance: | Clear colorless to slightly yellow |
Storage: | 2-8 °C |
MDL: | MFCD00000753 |
LogP: | 1.92690 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113150575-A | Near-infrared naphthalimide dye and preparation method and application thereof | 20210426 |
CN-113087834-A | Fluorescent ink powder and application thereof | 20210415 |
CN-113156782-A | Fluorescent ink powder with uniform charge amount and application thereof | 20210415 |
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PMID | Publication Date | Title | Journal |
22189135 | 20120115 | High-affinity fluorescent ligands for the 5-HT(3) receptor | Bioorganic & medicinal chemistry letters |
21837035 | 20110701 | N-(4-Bromo-butano-yl)-N'-phen-ylthio-urea | Acta crystallographica. Section E, Structure reports online |
Complexity: | 64.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.92906 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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