3-Nitrobenzyl alcohol
SIAL/73148 - suitable for mass spectrometry (MS), ≥99.5%
Synonym: NOBA
CAS Number: 619-25-0
Empirical Formula (Hill Notation): C7H7NO3
Molecular Weight: 153.14
EC Number: 210-588-2
MDL Number: MFCD00007273
Linear Formula: O2NC6H4CH2OH
Product Type: Chemical
| assay | ≥99.5% |
| ≥99.5% (GC) | |
| bp | 175-180 °C/3 mmHg (lit.) |
| density | 1.29 g/mL at 20 °C (lit.) |
| form | (Powder or Crystals or Solid or Liquid) |
| InChI | 1S/C7H7NO3/c9-5-6-2-1-3-7 |
| InChI key | CWNPOQFCIIFQDM-UHFFFAOYSA |
| mp | 26-32 °C (lit.) |
| Quality Level | 100  |
| SMILES string | OCc1cccc(c1)[N+]([O-])=O |
| technique(s) | H-NMR: suitable |
| mass spectrometry (MS): suitable |
| Application: | 3-NBA has been used as liquid matrix in Ionization in liquid secondary ion mass spectrometry. |
| 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. |
| Other Notes: | Matrix used in fast atom bombardment mass spectrometry |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 233.6 °F - closed cup |
| Flash Point(C) | 112 °C - closed cup |
| Purity | ≥99.5% (GC); ≥99.5% |
| bp | 175-180 °C/3 mmHg (lit.) |
| mp | 26-32 °C (lit.) |
| Density | 1.29 g/mL at 20 °C (lit.) |
| UNSPSC | 12000000 |