5-Phenyltetrazole
- Product Name5-Phenyltetrazole
- CAS18039-42-4
- CBNumberCB9703557
- MFC7H6N4
- MW146.15
- EINECS241-950-8
- MDL NumberMFCD01451271
- MOL File18039-42-4.mol
Chemical Properties
| Melting point: | 216 °C (dec.)(lit.) |
| Boiling point: | 255.75°C (rough estimate) |
| Density | 1.2955 (rough estimate) |
| refractive index | 1.6530 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO, Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 4.28±0.10(Predicted) |
| color | White to almost white |
| InChI | InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11) |
| InChIKey | MARUHZGHZWCEQU-UHFFFAOYSA-N |
| SMILES | N1=C(C2=CC=CC=C2)N=NN1 |
| CAS DataBase Reference | 18039-42-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-Tetrazole, 5-phenyl-(18039-42-4) |
| EPA Substance Registry System | 1H-Tetrazole, 5-phenyl- (18039-42-4) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P280h-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn,Xi,F | |||||||||
| Risk Statements | 22-44-11-36/37/38 | |||||||||
| Safety Statements | 36-37/39-26-16 | |||||||||
| RIDADR | UN 1325 4.1/PG III | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | XF7538750 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | IRRITANT | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2933990099 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| Toxicity | mouse,LD50,oral,890mg/kg (890mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0570992, | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 Kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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