5-Phenyl-1H-tetrazole

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Names

[ CAS No. ]:
18039-42-4

[ Name ]:
5-Phenyl-1H-tetrazole

[Synonym ]:
5-PHENYTETRAZOLE
5-phenyl-2H-tetraazole
5-phenyl-1H-1,2,3,4-tetrazole
5-Ph-1H-tetrazole
EINECS 241-950-8
expandexox5pt
(1H-tetrazol-5-yl)benzene
kempore50xpt
5-Phenyl-1H-tetrazole
5-phenyl-tetrazol
5-phenyl-tetrazole
expandex5pt
MFCD01451271
2H-Tetrazole, 5-phenyl-
MA 1623
phenyltetrazole
5-phenyl-1,2,3,4-tetrazole

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
330.5±25.0 °C at 760 mmHg

[ Melting Point ]:
216 °C (dec.)(lit.)

[ Molecular Formula ]:
C7H6N4

[ Molecular Weight ]:
146.149

[ Flash Point ]:
161.3±16.1 °C

[ Exact Mass ]:
146.059250

[ PSA ]:
54.46000

[ LogP ]:
1.65

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.619

[ Storage condition ]:
Flammables area

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XF7538750
CHEMICAL NAME :
1H-Tetrazole, 5-phenyl-
CAS REGISTRY NUMBER :
18039-42-4
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H6-N4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1901 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
890 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570992 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3890 mg/kg/10D-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - hemorrhage
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570992

Safety Information

[ Hazard Codes ]:
F:Flammable

[ Risk Phrases ]:
R11;R22;R44

[ Safety Phrases ]:
S36-S37/39-S26-S16

[ WGK Germany ]:
3

[ RTECS ]:
XF7538750

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzonitrile
  • Benzaldehyde, oxime, (Z)-
  • Benzaldoxime
  • Phenylacetylene
  • 2H-Tetrazole,5-phenyl-2-(2-propen-1-yl)-
  • 2-(1-Methyl-1-phenylethyl)-5-phenyl-2H-tetrazole
  • 5-(2-Bromophenyl)-1H-tetrazole
  • [4-(Hydroxymethyl)phenyl]boronic acid
  • Benzaldehyde
  • 4-Formylphenylboronic acid

DownStream

  • 5-(4-BROMOPHENYL)-1H-TETRAZOLE
  • 4'-nitrobenzanilide
  • N-Phenethylbenzamide
  • 1,3,4-Oxadiazole,2-(chloromethyl)-5-phenyl-
  • Ethyl benzoate
  • 2,5-diphenyl-4H-1,3,4-benzotriazepine
  • 3,4,5-TRIPHENYL-1,2,4-TRIAZOLE
  • Benzamide,N-(diphenylmethyl)-
  • 2-(2-furyl)-5-phenyl-1,3,4-oxadiazole
  • [2-[1-(TRIPHENYLMETHYL)-1H-TETRAZOL-5-YL]PHENYL]BORONIC ACID

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1-ethyl-5-phenyl-1H-tetrazole
  • 1-methyl-5-phenyl-1H-tetrazole
  • 1-benzyl-5-phenyl-1H-tetrazole
  • 1-benzyl-5-phenyl-1H-tetrazole
  • 1-methoxy-5-phenyl-1H-tetrazole
  • 5-Phenyl-1H-tetrazole,barium salt
  • 1-(Cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine
  • 1-(Cyclobutylmethyl)-4-methyl-1H-pyrazol-5-amine
  • 1-(3-Bromo-4-fluorophenyl)propan-2-ol
  • (S)-3-(Piperidin-3-yl)-3,4-dihydro-1H-benzo[c][1,2,6]thiadiazine 2,2-dioxide
  • (S)-3-(pyrrolidin-3-yl)-3,4-dihydro-1H-benzo[c][1,2,6]thiadiazine 2,2-dioxide
  • (R)-3-(pyrrolidin-3-yl)-3,4-dihydro-1H-benzo[c][1,2,6]thiadiazine 2,2-dioxide
  • Methyl 5-Bromo-3-iodo-2-thiophenecarboxylate
  • 5-Bromo-3-iodothiophene-2-carboxylic acid
  • 4-[(4-Methoxyphenyl)sulfanyl]pentan-2-one
  • (S)-2-Trifluoromethylpyrrolidine-1-sulfonamide
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