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288799

Sigma-Aldrich

3′-Chloroacetophenone

98%

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25 G
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About This Item

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

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Assay

98%

form

liquid

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

SMILES string

CC(=O)c1cccc(Cl)c1

InChI

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

InChI key

UUWJBXKHMMQDED-UHFFFAOYSA-N

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General description

The activity of strain, Saccharomyces cerevisiae B5, on the reduction of 3′-chloroacetophenone was studied[1].

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

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

288799-25G:
288799-5G:
288799-VAR:
288799-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB2297
STBL3499
STBL1256
STBK9374
STBJ0616

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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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