222054

4-Heptylbenzoyl chloride

Name: 4-Heptylbenzoyl chloride
Brand: ALDRICH
Price: 139 USD

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

NACRES:

NA.22

Key Documents

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Quality Level

100

assay

99%

form

liquid

refractive index

n20/D 1.5218 (lit.)

density

1.002 g/mL at 25 °C (lit.)

functional group

acyl chloride

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

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This Item	222143	M10204	C30604
Sigma-Aldrich 222054 4-Heptylbenzoyl chloride	Sigma-Aldrich 222143 4-Pentylbenzoyl chloride	Sigma-Aldrich M10204 4-Methoxybenzenesulfonyl chloride	Sigma-Aldrich C30604 4-Chlorobutyryl chloride
assay 99%	assay 96%	assay 99%	assay 99%
Quality Level 100	Quality Level 100	Quality Level 200	Quality Level 100
form liquid	form liquid	form -	form liquid
density 1.002 g/mL at 25 °C (lit.)	density 1.036 g/mL at 25 °C (lit.)	density -	density 1.26 g/mL at 25 °C (lit.)
refractive index n20/D 1.5218 (lit.)	refractive index n20/D 1.53 (lit.)	refractive index -	refractive index n20/D 1.461 (lit.)
functional group acyl chloride	functional group acyl chloride	functional group -	functional group -

Application

4-Heptylbenzoyl chloride was used in the synthesis of 3-O-acyl derivative by reacting with betulinic acid[1].

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H314,H335

pcodes

P261 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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

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Synthesis of 3-O-acyl/3-benzylidene/3-hydrazone/3-hydrazine/17-carboxyacryloyl ester derivatives of betulinic acid as anti-angiogenic agents.

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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