Methyl 5-bromovalerate - CAS 5454-83-1
Catalog: |
BB028717 |
Product Name: |
Methyl 5-bromovalerate |
CAS: |
5454-83-1 |
Synonyms: |
methyl 5-bromopentanoate |
IUPAC Name: | methyl 5-bromopentanoate |
Description: | Methyl 5-bromovalerate (CAS# 5454-83-1) is a useful research chemical. |
Molecular Weight: | 195.05 |
Molecular Formula: | C6H11BrO2 |
Canonical SMILES: | COC(=O)CCCCBr |
InChI: | InChI=1S/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3 |
InChI Key: | RAVVJKCSZXAIQP-UHFFFAOYSA-N |
Boiling Point: | 188.2 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.363 g/cm3 |
MDL: | MFCD00000265 |
LogP: | 1.72460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112409335-A | 1,2,3, 4-tetrahydroacridine-9-amine compound and preparation method and application thereof | 20201104 |
CN-112409335-B | 1,2,3, 4-tetrahydroacridine-9-amine compound and preparation method and application thereof | 20201104 |
CN-111662296-A | Hydroxamic acid derivative containing pyrazolopyrimidine and preparation method and application thereof | 20200602 |
WO-2021188762-A1 | Boron-containing cyclic emissive compounds and color conversion film containing the same | 20200320 |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
Complexity: | 83.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99424 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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