4-Heptylbenzoyl chloride - CAS 50606-96-7
Catalog: |
BB027135 |
Product Name: |
4-Heptylbenzoyl chloride |
CAS: |
50606-96-7 |
Synonyms: |
4-heptylbenzoyl chloride |
IUPAC Name: | 4-heptylbenzoyl chloride |
Description: | 4-Heptylbenzoyl chloride (CAS# 50606-96-7) is a useful research chemical. |
Molecular Weight: | 238.75 |
Molecular Formula: | C14H19ClO |
Canonical SMILES: | CCCCCCCC1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3 |
InChI Key: | WHTFLTOKFXTJGV-UHFFFAOYSA-N |
Boiling Point: | 321.5 °C at 760 mmHg |
Purity: | > 98.0 % (T) |
Density: | 1.002 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00000702 |
LogP: | 4.57850 |
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-113214587-A | Transparent, antibacterial organic glass and its manufacturing method | 20210601 |
WO-2020159620-A2 | Bioreachable chiral dopants for liquid crystal applications | 20181207 |
WO-2020159620-A9 | Bioreachable chiral dopants for liquid crystal applications | 20181207 |
EP-3891252-A2 | Bioreachable chiral dopants for liquid crystal applications | 20181207 |
KR-20210109547-A | Bioreactive Chiral Dopants for Liquid Crystal Applications | 20181207 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.1124429 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.1124429 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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