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139755-99-0

139755-99-0 structural image
Product Name: 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID
Formula: C8H12N2O2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H290:Corrosive to Metals
H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P330:Rinse mouth.
P331:Do NOT induce vomiting.
P363:Wash contaminated clothing before reuse.
P390:Absorb spillage to prevent material damage.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P402:Store in a dry place.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 168.19 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 168.089877630 g/mol
Monoisotopic Mass 168.089877630 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 172
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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product:1-Methyl-3-propyl-5-pyrazole carboxylic acid 98%
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