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222054

Sigma-Aldrich

4-Heptylbenzoyl chloride

99%

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About This Item

Linear Formula:
CH3(CH2)6C6H4COCl
CAS Number:
50606-96-7
Molecular Weight:
238.75
EC Number:
256-648-1
MDL number:
MFCD00000702
UNSPSC Code:
12352100
PubChem Substance ID:
24853309

Quality Level

100

assay

99%

form

liquid

refractive index

n20/D 1.5218 (lit.)

density

1.002 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCc1ccc(cc1)C(Cl)=O

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

Related Categories

Application

4-Heptylbenzoyl chloride was used in the synthesis of 3-O-acyl derivative by reacting with betulinic acid.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible, corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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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