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Merck
CN

288799

3′-Chloroacetophenone

98%

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About This Item

Linear Formula:
ClC6H4COCH3
CAS Number:
99-02-5
Molecular Weight:
154.59
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857361
EC Number:
202-721-8
Beilstein/REAXYS Number:
636318
MDL number:
MFCD00000593
Assay:
98%
Form:
liquid

Key Documents

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Product Name

3′-Chloroacetophenone, 98%

form

liquid

InChI key

UUWJBXKHMMQDED-UHFFFAOYSA-N

InChI

1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

SMILES string

CC(=O)c1cccc(Cl)c1

assay

98%

refractive index

n20/D 1.550 (lit.)

bp

227-229 °C (lit.)

density

1.191 g/mL at 25 °C (lit.)

functional group

chloro
ketone

Quality Level

100

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General description

The activity of strain, Saccharomyces cerevisiae B5, on the reduction of 3′-chloroacetophenone was studied.

pictograms

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GHS07

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Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

221.0 °F - closed cup

flash_point_c

105 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4123
SDBB2297
STBL3499
STBL1256
STBK9374

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Zhimin Ou et al.
Wei sheng wu xue bao = Acta microbiologica Sinica, 43(4), 523-526 (2005-11-10)
Four strains of microorganisms which have activity of chloroacetophenone reduction were screened, in which Saccharomyces cerevisiae B5 showed the highest activity and good stereoselectivity. This strains showed different activity on the reduction of various substrates in the following order: 2'-chloroacetophenone
Kunpeng Li et al.
Scientific reports, 7(1), 3081-3081 (2017-06-10)
(S)-carbonyl reductase II (SCRII) from Candida parapsilosis is a short-chain alcohol dehydrogenase/reductase. It catalyses the conversion of 2-hydroxyacetophenone to (S)-1-phenyl-1,2-ethanediol with low efficiency. Sortase was reported as a molecular "stapler" for site-specific protein conjugation to strengthen or add protein functionality.

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