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2425-66-3

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Basic Information
CAS No.: 2425-66-3
Name: 1-Chloro-2-nitropropane
Molecular Structure:
Molecular Structure of 2425-66-3 (1-Chloro-2-nitropropane)
Formula: C3H6 Cl N O2
Molecular Weight: 123.539
Synonyms: 1-Chloro-2-nitropropane;Korax; Lanstan; NIA 5961; NSC 17667; Niagara 5,961
Density: 1.204g/cm3
Boiling Point: 175.2°Cat760mmHg
Flash Point: 59.8°C
Safety: Poison by ingestion and skin contact. Moderately toxic by inhalation. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also other chloronitropropane entries.
PSA: 45.82000
LogP: 1.41360
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Chemistry

Product Name: Chloronitropropan (CAS NO.2425-66-3)


Molecular Formula: C3H6ClNO2
Molecular Weight: 123.55g/mol
Mol File: 2425-66-3.mol
Boiling point: 175.2 °C at 760 mmHg
Flash Point: 59.8 °C
Density: 1.204 g/cm3
Surface Tension: 32.9 dyne/cm
Enthalpy of Vaporization: 41.16 kJ/mol
Vapour Pressure: 1.16 mmHg at 25°C
XLogP3-AA: 1
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 1-chloro-2-nitropropane
Canonical SMILES: CC(CCl)[N+](=O)[O-]
InChI: InChI=1S/C3H6ClNO2/c1-3(2-4)5(6)7/h3H,2H2,1H3 
InChIKey: FPJNQQRSBJPGHM-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 105mg/kg (105mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 111, 1973.
rabbit LD50 skin 362mg/kg (362mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LC50 inhalation 1070mg/m3 (1070mg/m3)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 111, 1973.
rat LD50 oral 197mg/kg (197mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 647, 1966.
rat LD50 skin 362mg/kg (362mg/kg)   Pesticide Manual. Vol. 1, Pg. 89, 1968.

Safety Profile

Poison by ingestion and skin contact. Moderately toxic by inhalation. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also other chloronitropropane entries.

Specification

 Chloronitropropan ,its CAS NO. is 2425-66-3,the synonyms is 1-Chloro-2-nitropropane ; 4-01-00-00233 (Beilstein Handbook Reference) ; BRN 1748590 ; Caswell No. 201A ; Chloronitropropane ; EPA Pesticide Chemical Code 011302 ; Korax ; Lanstan ; Lastan ; NIA 5961 ; NSC 17667 ; Niagara 5,961 ; Propane, 1-chloro-2-nitro- .