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Merck

73148

Supelco

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:
Molecular Weight:
153.14
Beilstein:
2044769
EC Number:
MDL number:
UNSPSC Code:
23151817
PubChem Substance ID:
NACRES:
NA.21
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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

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


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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

233.6 °F - closed cup

Flash Point(C)

112 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves


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