Benzaldehyde
SIGMA/12010 - puriss. p.a., ≥99.0% (GC)
Synonym: Bitter almond
CAS Number: 100-52-7
Empirical Formula (Hill Notation): C7H6O
Molecular Weight: 106.12
EC Number: 202-860-4
MDL Number: MFCD00003299
Linear Formula: C6H5CHO
Product Type: Chemical
| assay | ≥99.0% (GC) |
| autoignition temp. | 374 °F |
| bp | 178-179 °C (lit.) |
| cation traces | Ca: ≤5 mg/kg |
| Cd: ≤1 mg/kg | |
| Co: ≤1 mg/kg | |
| Cr: ≤1 mg/kg | |
| Cu: ≤1 mg/kg | |
| Fe: ≤1 mg/kg | |
| K: ≤20 mg/kg | |
| Mg: ≤1 mg/kg | |
| Mn: ≤1 mg/kg | |
| Na: ≤20 mg/kg | |
| Ni: ≤1 mg/kg | |
| Pb: ≤1 mg/kg | |
| Zn: ≤1 mg/kg | |
| density | 1.044 g/cm3 at 20 °C (lit.) |
| expl. lim. | 1.4 %, 20 °F |
| form | liquid |
| functional group | aldehyde |
| phenyl | |
| grade | puriss. p.a. |
| impurities | chlorine, none detected |
| ≤0.001% nitrobenzene (C6H5NO2) | |
| ≤1% acid (as benzoic acid) | |
| InChI | 1S/C7H6O/c8-6-7-4-2-1-3-5 |
| InChI key | HUMNYLRZRPPJDN-UHFFFAOYSA |
| mp | −26 °C (lit.) |
| pH | 5.9 (20 °C) |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | O=Cc1ccccc1 |
| technique(s) | GC/GC: suitable |
| vapor density | 3.7 (vs air) |
| vapor pressure | 4 mmHg ( 45 °C) |
| Application: | Benzaldehyde has been used in: • Preparation of optically active 1-phenylpropan-1-ol. • Synthesis of meso-tetraphenylporphins and chlorins. |
| General description: | Benzaldehyde is the simplest aromatic aldehyde building block. |
| Other Notes: | Sales restrictions may apply |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 + H332 - H315 - H319 - H335 - H412 |
| Precautionary statements | P261 - P273 - P301 + P312 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 24 |
| RIDADR | UN 1990 9 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 145.4 °F |
| Flash Point(C) | 63 °C |
| Purity | ≥99.0% (GC) |
| bp | 178-179 °C (lit.) |
| mp | −26 °C (lit.) |
| Density | 1.044 g/cm3 at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |