4-Pentylbenzoyl chloride - CAS 49763-65-7
Catalog: |
BB026820 |
Product Name: |
4-Pentylbenzoyl chloride |
CAS: |
49763-65-7 |
Synonyms: |
4-pentylbenzoyl chloride |
IUPAC Name: | 4-pentylbenzoyl chloride |
Description: | 4-Pentylbenzoyl chloride (CAS# 49763-65-7 ) is a useful research chemical. |
Molecular Weight: | 210.70 |
Molecular Formula: | C12H15ClO |
Canonical SMILES: | CCCCCC1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C12H15ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3 |
InChI Key: | FBBRKYLXMNQFQU-UHFFFAOYSA-N |
Boiling Point: | 144-145 °C / 10mmHg |
Purity: | 95 % |
Density: | 1.036 g/mL at 25 °C(lit.) |
Appearance: | Clear light yellow liquid |
MDL: | MFCD00000700 |
LogP: | 3.79830 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113201008-A | Full-spectrum selective reflection cyclic side chain liquid crystal oligomer film and preparation method thereof | 20210519 |
CN-110423216-B | 2- (1-adamantane carboxamide) ethyl formate compound and preparation method and application thereof | 20190826 |
WO-2019195493-A2 | Substituted 2-aminobenzimidazoles analogs as antibiofilm agents | 20180403 |
CN-112351973-A | Substituted 2-aminobenzimidazole analogs as anti-biofilm agents | 20180403 |
EP-3774740-A2 | Substituted 2-aminobenzimidazoles analogs as antibiofilm agents | 20180403 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0811428 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0811428 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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