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Merck

73148

3-Nitrobenzyl alcohol

suitable for mass spectrometry (MS), ≥99.5%

Synonym(s):

NOBA

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About This Item

Linear Formula:
O2NC6H4CH2OH
CAS Number:
619-25-0
Molecular Weight:
153.14
UNSPSC Code:
23151817
NACRES:
NA.21
PubChem Substance ID:
329764660
EC Number:
210-588-2
Beilstein/REAXYS Number:
2044769
MDL number:
MFCD00007273
Assay:
≥99.5% (GC), ≥99.5%
Form:
(Powder or Crystals or Solid or Liquid)

Key Documents

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Quality Level

100

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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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.
Matrix used in fast atom bombardment mass spectrometrycitationcitationcitation

Other Notes

Matrix used in fast atom bombardment mass spectrometry

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

233.6 °F - closed cup

flash_point_c

112 °C - closed cup

ppe

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.

Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM9180
BCCH7372
1250917V
1250917

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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)
S. Zhao et al.
Analytical Chemistry, 63, 450-450 (1991)
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 Hartmann et al.
Biological mass spectrometry, 23(6), 362-368 (1994-06-01)
Fast atom bombardment mass spectra were successfully recorded for intact glycosylphenolphthiocerol dimycocerosates (phenolic glycolipids, PGLs) from Mycobacterium kansasii, M. leprae, M. tuberculosis, M. marinum, M. bovis and M. haemophilum. Characteristic fragment ions from the loss of the oligosaccharide moiety and
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