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Home> Encyclopedia > Hot Product Listed 1   > 1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-
5744-56-9 structure

1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-

Iupac Name:2,5-dimethylpyrazole-3-carboxylic acid
CAS No.:5744-56-9
Molecular Weight:140.13992
Molecular Formula:C6H8N2O2 (isomer)
Names and Identifiers
Synonyms

1,3-dimethyl-1H-pyrazole-5-carboxylic acid 1,3-Dimethyl-5-carboxypyrazole 1,3-Dimethylpyrazole-5-carboxylic acid 1H-Pyrazole-5-carboxylic acid, 1,3-dimethyl- 2,5-Dimethyl-2H-pyrazole-3-carboxylic acid Pyrazole-5-carboxylicacid, 1,3-dimethyl- (6CI,7CI,8CI)

Inchi
InChI=1/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10)
Canonical Smiles
CC1=NN(C(=C1)C(=O)O)C
Properties
Density
1.28
Melting Point
209-211℃
Boiling Point
302.4°Cat760mmHg
Refractive Index
1.575
Flash Point
136.7°C
HS Code
2933199090
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22;R36/37/38
Safety Statements
S22;S26;S36/37/39
Safety

Hazard Codes: IrritantXiHarmfulXn
Risk Statements: 36/37/38-22 
R36/37/38: Irritating to eyes, respiratory system and skin
R22: Harmful if swallowed
Safety Statements: 26-36/37/39-22 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S22: Do not breathe dust
Hazard: Note Irritant

Specification

 1,3-Dimethylpyrazole-5-carboxylic acid (CAS NO.5744-56-9) is also called as 1,3-Dimethylpyrazole-5-carboxylic acid .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:140.13992g/mol
  • Molecular Formula:C6H8N2O2
  • Exact Mass:140.058578
  • Monoisotopic Mass:140.058578
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.1
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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