3,5-Dimethylpyrazole

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Names

[ CAS No. ]:
67-51-6

[ Name ]:
3,5-Dimethylpyrazole

[Synonym ]:
MFCD00005243
EINECS 200-657-5
3,5-Dimethyl-1H-pyrazole
1H-Pyrazole, 3,5-dimethyl-

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
218.0±0.0 °C at 760 mmHg

[ Melting Point ]:
105-108 °C(lit.)

[ Molecular Formula ]:
C5H8N2

[ Molecular Weight ]:
96.130

[ Flash Point ]:
90.5±11.7 °C

[ Exact Mass ]:
96.068748

[ PSA ]:
28.68000

[ LogP ]:
1.24

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.520

[ Water Solubility ]:
methanol: 0.1 g/mL, clear

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6477600
CHEMICAL NAME :
Pyrazole, 3,5-dimethyl-
CAS REGISTRY NUMBER :
67-51-6
BEILSTEIN REFERENCE NO. :
0106325
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H8-N2
MOLECULAR WEIGHT :
96.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,23,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1060 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - ataxia
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
570 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae. (Warsaw, Poland) V.18-24, 1966-72. For publisher information, see PJPPAA. Volume(issue)/page/year: 18,19,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1620 No. of Facilities: 89 (estimated) No. of Industries: 5 No. of Occupations: 7 No. of Employees: 315 (estimated) No. of Female Employees: 109 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UQ6477600

[ HS Code ]:
2933199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,4-Pentandione
  • 1-Allyl-3,5-Dimethylpyrazole
  • Nitrogen
  • N-(2-p-toluenesulfonylethyl)-3,5-dimethylpyrazole
  • 2,3-Pentanedione
  • 3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
  • 3,5-Dimethylisoxazole
  • 4-Chloroaniline
  • 3,5-dimethylpyrazole-1-carboxamide

DownStream

  • 3,4-DIBROMO-5-NITRO-1H-PYRAZOLE
  • Dimethyl 1H-pyrazole-3,5-dicarboxylate
  • 4-Bromo-3,5-dimethylpyrazole
  • 3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPANENITRILE
  • 1H-Pyrazole-1-propanenitrile,3,5-dimethyl-b-oxo-
  • 3,5-dimethylpyrazole-1-carboximidamide hydrochloride
  • 3,5-Pyrazoledicarboxylic acid monohydrate
  • 3,5-Pyrazoledicarboxylic acid diethyl ester
  • (1H-pyrazole-3,5-diyl)dimethanol
  • (4-bromo-3,5-dimethyl-pyrazol-1-yl)methanol

Customs

[ HS Code ]: 2933199090

[ Summary ]:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • 3,5-dimethylpyrazole
  • 3,5-dimethylpyrazole sodium
  • 3,5-dimethylpyrazole borane
  • 4-Iodo-3,5-diMethylpyrazole
  • CoCl2(3,5-dimethylpyrazole)2
  • 1-Allyl-3,5-Dimethylpyrazole
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Methyl 2-bromo-1-methyl-1H-indole-4-carboxylate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide