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About This Item
Linear Formula:
CH3(CH2)4C6H4COCl
CAS Number:
Molecular Weight:
210.70
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
96%
form
liquid
refractive index
n20/D 1.53 (lit.)
density
1.036 g/mL at 25 °C (lit.)
SMILES string
CCCCCc1ccc(cc1)C(Cl)=O
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
Application
4-Pentylbenzoyl chloride was used in the synthesis of 3-O-acyl derivative by reacting with betulinic acid.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Rama Mukherjee et al.
Bioorganic & medicinal chemistry letters, 14(12), 3169-3172 (2004-05-20)
New 3-O-acyl, 3-benzylidene, 3-hydrazone, 3-hydrazine, 17-carboxyacryloyl ester derivatives of betulinic acid (2-6, 8-11, 13, 17, 18, 21, and 22) were synthesized and evaluated in vitro for anti-angiogenic activity on endothelial cell cytotoxicity, specificity, and tube-formation ability. All derivatives reported here
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