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ChemicalBook--->CAS DataBase List--->18039-42-4

18039-42-4

18039-42-4 Structure

18039-42-4 Structure
IdentificationMore
[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 PropertiesBack 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 AnswerBack Directory
[Synthesis]

5-Phenyltetrazole can be prepared by reacting benzonitrile with hydrazine or hydrazine salt, and then reacting with nitrous acid.
Safety DataBack 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,
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Phenyl-1H-tetrazole(18039-42-4).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Phenyltetrazole(18039-42-4)MS
5-Phenyltetrazole(18039-42-4)1HNMR
5-Phenyltetrazole(18039-42-4)13CNMR
5-Phenyltetrazole(18039-42-4)IR1
5-Phenyltetrazole(18039-42-4)IR2
5-Phenyltetrazole(18039-42-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Phenyltetrazole, 99%(18039-42-4)
[Alfa Aesar]

5-Phenyl-1H-tetrazole, 99%(18039-42-4)
[Sigma Aldrich]

18039-42-4(sigmaaldrich)
[TCI AMERICA]

5-Phenyltetrazole,>98.0%(LC)(T)(18039-42-4)
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