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Substance Name: Nitrofungin
RN: 619-08-9
UNII: Y2V03M9UL8
InChIKey: BOFRXDMCQRTGII-UHFFFAOYSA-N

Note

  • Consists of the 2-aminotridecane salt of 2-chloronitrophenol.

Molecular Formula

  • C6-H4-Cl-N-O3

Molecular Weight

  • 173.555
 

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide
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Names and Synonyms

Name of Substance

  • Nitrofungin

Synonyms

  • 2-Chloro-4-nitrophenol
  • 4-06-00-01353 (Beilstein Handbook Reference)
  • BRN 2046372
  • EINECS 210-578-8
  • Nitrofungin
  • NSC 1316
  • UNII-Y2V03M9UL8

Systematic Names

  • 2-Chloro-4-nitrophenol
  • Phenol, 2-chloro-4-nitro-

Registry Numbers

CAS Registry Number

  • 619-08-9

FDA UNII

  • Y2V03M9UL8

Related Registry Number

  • 38731-70-3 (hydrochloride salt)

System Generated Number

  • 0000619089

Structure Descriptors

InChI

1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H

InChIKey

BOFRXDMCQRTGII-UHFFFAOYSA-N

Smiles

c1(cc(c(O)cc1)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
rabbit LDLo skin 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0570573,
rat LD50 oral 900mg/kg (900mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0570573,

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 5.45 (none) 25 EXP
log P (octanol-water) 2.550 (none)   EST
Water Solubility 1490 mg/L 25 EST
Vapor Pressure 2.96E-04 mm Hg 25 EST
Henry's Law Constant 1.64E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-12 cm3/molecule-sec 25 EST

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