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281794

Sigma-Aldrich

3-Nitrophenethyl alcohol

98%

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About This Item

Linear Formula:
O2NC6H4CH2CH2OH
CAS Number:
52022-77-2
Molecular Weight:
167.16
EC Number:
257-611-2
MDL number:
MFCD00010445
UNSPSC Code:
12352100
PubChem Substance ID:
24856994
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

bp

141-146 °C/4 mmHg (lit.)

mp

47-50 °C (lit.)

SMILES string

OCCc1cccc(c1)[N+]([O-])=O

InChI

1S/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2

InChI key

PWZWTSYUZQZFKE-UHFFFAOYSA-N

Application

3-Nitrophenethyl alcohol has been employed as substrate to engineer nitrobenzene dioxygenase for the production of the highly potent antioxidant, hydroxytyrosol.

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

11 - Combustible Solids

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.

JAN Code

281794-BULK:
281794-VAR:
281794-1G:
281794-5G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

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Kalia Bernath-Levin et al.
Applied microbiology and biotechnology, 98(11), 4975-4985 (2014-01-28)
Nitrobenzene dioxygenase (NBDO) is known to add both atoms of molecular oxygen to the aromatic ring of nitrobenzene to form catechol. It is assembled by four subunits of which the alpha subunit is responsible for catalysis. As an oxidizing enzyme

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