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Substance Name: 2-Methyl-2-nitro-1-propanol
RN: 76-39-1
UNII: RGG97AOX42
InChIKey: MVGJRISPEUZYAQ-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N-O3

Molecular Weight

  • 119.1191
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-2-nitro-1-propanol

Synonyms

  • 1-Propanol, 2-methyl-2-nitro-
  • 2-Methyl-2-nitro-1-propanol
  • 2-Methyl-2-nitropropanol
  • 2-Nitro-2-methyl-1-propanol
  • 2-Nitro-2-methylpropanol
  • AI3-02258
  • EINECS 200-957-6
  • HSDB 5213
  • NSC 17676
  • UNII-RGG97AOX42

Systematic Names

  • 1-Propanol, 2-methyl-2-nitro-
  • 2-Methyl-2-nitropropan-1-ol

Superlist Name

  • 1-Propanol, 2-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 76-39-1

FDA UNII

  • RGG97AOX42

System Generated Number

  • 0000076391

Structure Descriptors

InChI

1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3

InChIKey

MVGJRISPEUZYAQ-UHFFFAOYSA-N

Smiles

CC(C)(CO)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 1gm/kg (1000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 89.5 deg C   EXP
log P (octanol-water) -0.140 (none)   EST
Water Solubility 3.50E+06 mg/L 20 EXP
Vapor Pressure 0.090 mm Hg 25 EST
Henry's Law Constant 3.60E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.66E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.