ChemicalBook--->CAS DataBase List--->67-51-6

67-51-6

67-51-6 Structure

67-51-6 Structure
IdentificationMore
[Name]

3,5-Dimethylpyrazole
[CAS]

67-51-6
[Synonyms]

3,5-DIMETHYL-1H-PYRAZOLE
3,5-DIMETHYLPYRAZOL
3,5-DIMETHYLPYRAZOLE
DMP
LABOTEST-BB LT00107055
TIMTEC-BB SBB004377
1(H)-3,5-Dimethylpyrazole
1H-Pyrazole,3,5-dimethyl-
3,5-dimethyl-1h-pyrazol
3,5-Dwumetylopirazolu
Pyrazole, 3,5-dimethyl-
TH 564
th564
U 6245
u6245
Pyrazole, 3,5-dimethyl-(6CI, 8CI)
DimethylPyrazole
3,5-Dimethylpyrazole,99%
3,5-Dimethylpyrazole, 98.50%
,5-Dimethylpyrazole
[EINECS(EC#)]

200-657-5
[Molecular Formula]

C5H8N2
[MDL Number]

MFCD00005243
[Molecular Weight]

96.13
[MOL File]

67-51-6.mol
Chemical PropertiesBack Directory
[Appearance]

White crystal powder
[Melting point ]

105-108 °C (lit.)
[Boiling point ]

218 °C (lit.)
[density ]

0,884 g/cm3
[refractive index ]

1.4739 (estimate)
[Fp ]

210°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

methanol: 0.1 g/mL, clear
[form ]

Crystalline Powder or Crystals
[pka]

15.12±0.10(Predicted)
[color ]

White to almost white
[PH]

6.7 (14g/l, H2O, 20℃)
[Water Solubility ]

Soluble in water, methanol 0.1 g/mL.
[Usage]

3,5-Dimethylpyrazole is used as intermediate for the manufacture of organic dyestuffs and photochemicals. Product Data Sheet
[Detection Methods]

GC
[BRN ]

106325
[InChI]

1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
[InChIKey]

SDXAWLJRERMRKF-UHFFFAOYSA-N
[SMILES]

Cc1cc(C)[nH]n1
[LogP]

1.010
[CAS DataBase Reference]

67-51-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrazole, 3,5-dimethyl-(67-51-6)
[EPA Substance Registry System]

67-51-6(EPA Substance)
Questions And AnswerBack Directory
[Preparation]

In a reaction vessel, add 1000 kg of water, 370 kg of acetylacetone, and an appropriate amount of glacial acetic acid. Then, add hydrazine hydrate dropwise, keeping the reaction temperature below 50°C. After all the hydrazine hydrate has been added, maintain the reaction at 50°C for 3 hours. Cool to 10°C, centrifuge, rinse, and vacuum dry to obtain 3,5-dimethylpyrazole.

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H373
[Precautionary statements ]

P260-P264-P270-P301+P312-P314-P501
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

UQ6477600
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29331990
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
STOT RE 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1H-Pyrazole, 3,5-dimethyl-1-[2-[(4-methylphenyl)sulfonyl]ethyl]--->1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole-->Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate-->1-Allyl-3 5-dimethylpyrazole 96-->1-Cyanoacetyl-3,5-dimethylpyrazole-->4-Bromo-3,5-dimethylpyrazole-->Semicarbazide hydrochloride-->Hydrazine hydrate-->2,3-Pentanedione
[Preparation Products]

4-Bromo-1,3,5-trimethyl-1H-pyrazole-->(1,3,5-Trimethyl-1H-pyrazol-4-yl)methylamine-->1,3,5-Trimethylpyrazole-->1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde-->3,5-Pyrazoledicarboxylic acid-->1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid-->1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI)-->1,4-Dioxaspiro[4.5]decan-8-one-->Diethyl 3,5-pyrazoledicarboxylate-->3,5-Dimethylpyrazole-1-methanol-->4-amino-3,5-dimethyl-pyrazol-->Benzenesulfonic acid, 3-[2-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-, sodium salt (1:1)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dimethylpyrazole(67-51-6).msds
Hazard InformationBack Directory
[Chemical Properties]

White crystal powder
[Uses]

3,5-Dimethylpyrazole is used as intermediate for the manufacture of organic dyestuffs and photochemicals. Product Data Sheet
[Uses]

Common reagent for the preparation of pyrazolato ligated complexes.1,2 Also used to prepare N-1-substituted derivatives having antibacterial activity.3
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 19, p. 373, 1982 DOI: 10.1002/jhet.5570190231
Organic Syntheses, Coll. Vol. 4, p. 351, 1963
[Purification Methods]

Crystallise it from cyclohexane or water. [Barszez et al. J Chem Soc, Dalton Trans 2025 1986, Beilstein 23/5 V 110.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dimethylpyrazole(67-51-6)MS
3,5-Dimethylpyrazole(67-51-6)1HNMR
3,5-Dimethylpyrazole(67-51-6)13CNMR
3,5-Dimethylpyrazole(67-51-6)IR1
3,5-Dimethylpyrazole(67-51-6)IR2
3,5-Dimethylpyrazole(67-51-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dimethylpyrazole, 98.50%(67-51-6)
[Alfa Aesar]

3,5-Dimethyl-1H-pyrazole, 99%(67-51-6)
[Sigma Aldrich]

67-51-6(sigmaaldrich)
[TCI AMERICA]

3,5-Dimethylpyrazole,>98.0%(GC)(T)(67-51-6)
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