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73148

Supelco

3-Nitrobenzyl alcohol

suitable for mass spectrometry (MS), ≥99.5%

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Synonym(s):
NOBA
Linear Formula:
O2NC6H4CH2OH
CAS Number:
Molecular Weight:
153.14
Beilstein/REAXYS Number:
2044769
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

assay

≥99.5% (GC)
≥99.5%

form

(Powder or Crystals or Solid or Liquid)

technique(s)

H-NMR: suitable
mass spectrometry (MS): suitable

bp

175-180 °C/3 mmHg (lit.)

mp

26-32 °C (lit.)

density

1.29 g/mL at 20 °C (lit.)

SMILES string

OCc1cccc(c1)[N+]([O-])=O

InChI

1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2

InChI key

CWNPOQFCIIFQDM-UHFFFAOYSA-N

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1 of 4

This Item
402834146056N12805
vibrant-m

73148

3-Nitrobenzyl alcohol

vibrant-m

402834

Benzyl alcohol

vibrant-m

146056

3-Nitrobenzyl alcohol

vibrant-m

N12805

2-Nitrobenzyl alcohol

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

density

1.29 g/mL at 20 °C (lit.)

density

1.045 g/mL at 25 °C (lit.)

density

1.29 g/mL at 20 °C (lit.)

density

-

bp

175-180 °C/3 mmHg (lit.)

bp

203-205 °C (lit.)

bp

175-180 °C/3 mmHg (lit.)

bp

270 °C (lit.)

mp

26-32 °C (lit.)

mp

−16-−13 °C (lit.)

mp

26-32 °C (lit.)

mp

69-72 °C (lit.)

form

(Powder or Crystals or Solid or Liquid)

form

liquid

form

-

form

solid

General description

3-Nitrobenzyl alcohol (3-NBA) is most commonly used matrix for spectrometry methods. It helps in the analysis of porphyrins, cyclic peptides, alkali metal cationized fatty acids for collisional activation and also certain organoruthenium compounds.

Application

3-NBA has been used as liquid matrix in Ionization in liquid secondary ion mass spectrometry.

Other Notes

Matrix used in fast atom bombardment mass spectrometry

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

233.6 °F - closed cup

flash_point_c

112 °C - closed cup

ppe

Eyeshields, Gloves


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J. Meili et al.
Org. Mass Spectrom., 19, 581-581 (1984)
T.W. Chan et al.
Org. Mass Spectrom., 27, 53-53 (1992)
3-Nitrobenzyl alcohol has wide applicability as a matrix for FAB-MS.
Sweetman, Brian J., and Ian A. Blair.
Biological Mass Spectrometry, 17.4, 337-340 (1988)
Investigation of the Alamar Blue (resazurin) fluorescent dye for the assessment of mammalian cell cytotoxicity.
O'brien, John, et al.
European Journal of Biochemistry, 267.17, 5421-5426 (2000)
S. Zhao et al.
Analytical Chemistry, 63, 450-450 (1991)

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