Nitrobenzene-d5
ALDRICH/151955 - 99.5 atom % D
Synonym: Pentadeuteronitrobenzene
CAS Number: 4165-60-0
Empirical Formula (Hill Notation): C6D5NO2
Molecular Weight: 128.14
EC Number: 224-014-3
MDL Number: MFCD00044415
Linear Formula: C6D5NO2
Product Type: Chemical
| assay | 99% (CP) |
| bp | 88 °C/12 mmHg (lit.) |
| density | 1.253 g/mL at 25 °C (lit.) |
| expl. lim. | 0.34-6.3 % (lit.) |
| form | liquid |
| impurities | ≤0.5% water water |
| InChI | 1S/C6H5NO2/c8-7(9)6-4-2-1 |
| InChI key | LQNUZADURLCDLV-RALIUCGRSA |
| isotopic purity | 99.5 atom % D |
| mass shift | M+5 |
| mp | 6 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | [2H]c1c([2H])c([2H])c(c([ |
| technique(s) | NMR: suitable |
| General description: | Nitrobenzene-d5 is also referred to as pentadeuteronitrobenzene. Structure of the complexes between tetramethyl p-tert-butylcalix[4]arene tetraketone and hydroxonium cation H3O+ in nitrobenzene-d5 have been investigated by NMR (Nuclear Magnetic Resonance) spectroscopy and DFT (Density Functional Theory) calculations. It participates in the preparation of 2- and 3-phenyl-d5-thiophenes. |
| Packaging: | 25 g in glass bottle |
| Packaging: | 5, 10 g in ampule |
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| Symbol |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301 + H311 + H331 - H351 - H360F - H372 - H412 |
| Precautionary statements | P201 - P260 - P280 - P301 + P310 + P330 - P308 + P313 - P403 + P233 |
| Hazard Codes | T |
| Risk Statements | 60-23/24/25-40-48/23/24/25-52/53 |
| Safety Statements | 53-45 |
| RIDADR | UN 1662 6.1 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 190.4 °F |
| Flash Point(C) | 88 °C |
| Purity | 99% (CP) |
| bp | 88 °C/12 mmHg (lit.) |
| mp | 6 °C (lit.) |
| Density | 1.253 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |