| Identification | More | [Name]
5-Phenyltetrazole | [CAS]
18039-42-4 | [Synonyms]
5-PHENYL-1H-1,2,3,4-TETRAZOLE
5-PHENYL-1H-TETRAZOLE
5-PHENYL-2H-TETRAZOLE
5-PHENYLTETRAZOLE
AKOS B016094
ART-CHEM-BB B016094
1H-Tetrazole,1-phenyl-
1-Phenyl-1H-tetrazole
1-phenyltetrazole
2H-Tetrazole, 5-phenyl-
5-Phenyl-1H-tetraazole
5-phenyl-1h-tetrazol
5-phenyl-tetrazol
expandex5pt
expandexox5pt
kempore50xpt
MA 1623
ma1623
phenyltetrazole
1H-Tetrazole, 5-phenyl- | [EINECS(EC#)]
241-950-8 | [Molecular Formula]
C7H6N4 | [MDL Number]
MFCD01451271 | [Molecular Weight]
146.15 | [MOL File]
18039-42-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to almost white crystalline powder | [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. ]
Flammables area | [solubility ]
DMSO, Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
4.28±0.10(Predicted) | [color ]
White to almost white | [Detection Methods]
HPLC,NMR | [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]
18039-42-4(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
5-Phenyltetrazole can be prepared by reacting benzonitrile with hydrazine or hydrazine salt, and then reacting with nitrous acid. |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi,F | [Risk Statements ]
R22:Harmful if swallowed.
R44:Risk of explosion if heated under confinement.
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1325 4.1/PG III | [WGK Germany ]
3
| [RTECS ]
XF7538750
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29339900 | [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, |
| Hazard Information | Back Directory | [Chemical Properties]
white to almost white crystalline powder | [Uses]
5-Phenyl-1H-tetrazole can be used as an etching solution composing metal wire layer to improve the production efficiency of panel manufacturing and cost reduction. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 80, p. 3908, 1958 DOI: 10.1021/ja01548a028
Tetrahedron Letters, 38, p. 1257, 1997 DOI: 10.1016/S0040-4039(97)00052-X
Tetrahedron, 51, p. 11737, 1995 DOI: 10.1016/0040-4020(95)00725-N | [General Description]
Nucleophilic substitution reactions on 1,4-dimethoxybenzene and 1,3,5-trimethoxybenzene by the anions of 5-phenyl-1H-tetrazole has been investigated by paired electrosynthesis. |
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