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5-Phenyltetrazole

5-Phenyltetrazole structure

CAS No:
18039-42-4
Formula:
C7H6N4
Chemical Name:
5-Phenyltetrazole
Synonyms:
2H-Tetrazole,5-phenyl-;1H-Tetrazole,5-phenyl-;Tetrazole,5-phenyl-;5-Phenyl-2H-tetrazole;5-Phenyltetrazole;MA 1623;5-Phenyl-1H-tetrazole;Kempore 50XPT;Expandex OX 5PT;Expandex 5PT;5-Phenyl-1,2,3,4-tetrazole;Phenyltetrazole;Unifoam HB 1;Unicell 5PT;NSC 11138;Celltetra BHT-P 5T;Celltetra P 5T;5-Phenyl-1,2,3,4-tetraazole;3999-10-8;25378-28-3;31422-49-8;221658-40-8;133585-63-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to almost white crystalline powder

5-Phenyltetrazole Basic Attributes

Molecular Weight：

146.14934

Exact Mass：

146.15

EC Number：

241-950-8

UNII：

L66K25GN4V

NSC Number：

11138

DSSTox ID：

DTXSID6044858

HScode：

29339900

Characteristics

PSA：

54.5

XLogP3：

1.1

Appearance：

white to almost white crystalline powder

Density：

1.2955 (rough estimate)

Melting Point：

215 °C

Boiling Point：

255.75°C (rough estimate)

Flash Point：

161.3±16.1 °C

Refractive Index：

1.6530 (estimate)

Water Solubility：

3.2 [ug/mL]

Storage Conditions：

Flammables area

Vapor Pressure：

0.000165mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN 1325 4.1/PG III

wgk germany：

hazard class code：

R11;R22;R44

safety instructions：

36-37/39-26-16

RTECS Number：

XF7538750

Marks：

Xn,Xi,F

Precautionary statement(s)：

P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, P501

Hazard Statements：

H228

GHS Classification：

|Warning|H228 (10.71%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 56 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Phenyltetrazole Use and Manufacturing

Manufacturing Info：

2H-Tetrazole, 5-phenyl-: ACTIVE

Computed Properties

Molecular Weight:146.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:146.059246208
Monoisotopic Mass:146.059246208
Topological Polar Surface Area:54.5
Heavy Atom Count:11
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cas no. 18039-42-4 5-Phenyltetrazole mainly used in pharmaceutical and industrial fields

CAS No.: 18039-42-4

Grade: Chemical Grade

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