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73096-39-6

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73096-39-6 Structure

73096-39-6 Structure
IdentificationBack Directory
[Name]

3-(2H-TETRAZOL-5-YL)-BENZOIC ACID
[CAS]

73096-39-6
[Synonyms]

3-(2H-TETRAZOL-5-YL)-BENZOIC ACID
Benzoic acid, 3-(2H-tetrazol-5-yl)-
3-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid
[Molecular Formula]

C8H6N4O2
[MDL Number]

MFCD06797250
[MOL File]

73096-39-6.mol
[Molecular Weight]

190.16
Chemical PropertiesBack Directory
[Melting point ]

284-286°C
[Boiling point ]

496.4±47.0 °C(Predicted)
[density ]

1.518±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.56±0.10(Predicted)
[color ]

White to Off-White
[InChI]

1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
[InChIKey]

MIERACSHCALJOM-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cccc(c1)-c2nn[nH]n2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-(1H-Tetrazol-5-yl)benzoic Acid is a useful reactant in organic synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2H-TETRAZOL-5-YL)-BENZOIC ACID(73096-39-6)1HNMR
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