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Key Documents

281794

Sigma-Aldrich

3-Nitrophenethyl alcohol

98%

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About This Item

Linear Formula:
O2NC6H4CH2CH2OH
CAS Number:
Molecular Weight:
167.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

Signal Word

Warning

Hazard Statements

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

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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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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