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Safety Information

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
NACRES:
NA.22

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

Application

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

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H314,H335

Hazard Classifications

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

Target Organs

Respiratory system

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

222054-VAR:
222054-5G:
222054-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK0729
STBH9944
STBG6479
STBF6624V
33016

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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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