4-Pentylbromobenzene - CAS 51554-95-1
Catalog: |
BB027492 |
Product Name: |
4-Pentylbromobenzene |
CAS: |
51554-95-1 |
Synonyms: |
1-bromo-4-pentylbenzene |
IUPAC Name: | 1-bromo-4-pentylbenzene |
Description: | 4-Pentylbromobenzene (CAS# 51554-95-1) is a derivative of Valerophenone (V091450), which is an aromatic ketone that is often used as a tool in the study of various photochemical processes. Valerophenone is also an inhibitor of the enzyme carbonyl reductase. |
Molecular Weight: | 227.14 |
Molecular Formula: | C11H15Br |
Canonical SMILES: | CCCCCC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3 |
InChI Key: | SGCJPYYTVBHQGE-UHFFFAOYSA-N |
Boiling Point: | 203-204 °C |
Purity: | 98 % |
Density: | 1.272 g/cm3 |
MDL: | MFCD00061113 |
LogP: | 4.18180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111362833-A | Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof | 20200226 |
WO-2020230480-A1 | Polymerizable liquid crystal composition and liquid crystal display element, and compound | 20190515 |
JP-6870784-B2 | Polymerizable liquid crystal compositions and liquid crystal display devices, and compounds | 20190515 |
TW-202106864-A | Polymerizable liquid crystal composition, liquid crystal display element, and compound | 20190515 |
CN-109762576-B | Liquid crystal compound, liquid crystal composition and application thereof | 20190129 |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.03571 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.03571 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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