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Substance Name: 1-Chloro-1-nitroethane
RN: 598-92-5
UNII: 05W76RRF9K
InChIKey: LPIWIOBGUAPNQW-UHFFFAOYSA-N

Molecular Formula

  • C2-H4-Cl-N-O2

Molecular Weight

  • 109.512
 
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Names and Synonyms

Name of Substance

  • 1-Chloro-1-nitroethane

Synonyms

  • 1-Chloro-1-nitroethane
  • 1-Chloronitroethane
  • 4-01-00-00172 (Beilstein Handbook Reference)
  • AI3-15633
  • BRN 1743285
  • NSC 6154
  • UNII-05W76RRF9K

Systematic Name

  • Ethane, 1-chloro-1-nitro-

Superlist Names

  • 1-Chloro-1-nitroethane
  • Ethane, 1-chloro-1-nitro-

Registry Numbers

CAS Registry Number

  • 598-92-5

FDA UNII

  • 05W76RRF9K

System Generated Number

  • 0000598925

Structure Descriptors

InChI

1S/C2H4ClNO2/c1-2(3)4(5)6/h2H,1H3

InChIKey

LPIWIOBGUAPNQW-UHFFFAOYSA-N

Smiles

[N+]([C@@H](C)Cl)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 21gm/m3/3H (21000mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: GENERAL ANESTHETIC
Hygiene and Sanitation Vol. 34(10-12), Pg. 429, 1969.
mouse LD skin > 5000mL/kg (5000mL/kg)   Hygiene and Sanitation Vol. 34, Pg. 429, 1969.
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.
mouse LD50 oral 620mg/kg (620mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 34(10-12), Pg. 429, 1969.
mouse LD50 subcutaneous 185mg/kg (185mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 34(10-12), Pg. 429, 1969.
rabbit LDLo oral 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 124.5 deg C   EXP
log P (octanol-water) 1.1 (none)   EXP
Water Solubility 4000 mg/L 20 EXP
Vapor Pressure 11.2 mm Hg 25 EST
Henry's Law Constant 1.97E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-13 cm3/molecule-sec 25 EST

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