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2307-68-8

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Basic Information
CAS No.: 2307-68-8
Name: PENTANOCHLOR
Article Data: 3
Molecular Structure:
Molecular Structure of 2307-68-8 (PENTANOCHLOR)
Formula: C13H18 Cl N O
Molecular Weight: 239.745
Synonyms: p-Valerotoluidide,3'-chloro-2-methyl- (6CI,8CI); 3'-Chloro-2,4'-dimethylvaleranilide;3'-Chloro-2-methyl-p-valerotoluidide; CMA; CMMP; CMMP (herbicide); Chlorpentan;Dutom; Hortox; N-(3-Chloro-4-methylphenyl)-2-methylpentanamide; Niagara 4512;Pentanochlor; Solan; Solan (herbicide); Solane
Density: 1.104g/cm3
Melting Point: 79-80°
Boiling Point: 376.2°C at 760 mmHg
Flash Point: 181.3°C
Solubility: 8.5mg/L(room temperature)
Hazard Symbols: F,Xn
Risk Codes: 11-20/21/22-36
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 29.10000
LogP: 4.09610
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Chemistry

Molecule structure of Solan (CAS NO.2307-68-8) :

IUPAC Name: N-(3-chloro-4-methylphenyl)-2-methylpentanamide 
Molecular Weight: 239.74112 g/mol
Molecular Formula: C13H18ClNO 
Density: 1.104 g/cm3 
Boiling Point: 376.2 °C at 760 mmHg 
Flash Point: 181.3 °C
Index of Refraction: 1.545
Molar Refractivity: 68.73 cm3
Molar Volume: 217.1 cm3
Polarizability: 27.24×10-24 cm3
Surface Tension: 38.5 dyne/cm
Enthalpy of Vaporization: 62.38 kJ/mol
Vapour Pressure: 7.37E-06 mmHg at 25 °C
XLogP3: 4.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 239.107692
MonoIsotopic Mass: 239.107692
Topological Polar Surface Area: 29.1
Heavy Atom Count: 16
Complexity: 232
Canonical SMILES: CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl
InChI: InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKey: WGVWLKXZBUVUAM-UHFFFAOYSA-N
EINECS: 218-988-9

Toxicity Data With Reference

1.    

orl-rat LD50:5620 mg/kg

     EKMMA8    Eksperimentalna Meditsina i Morfologiya. 13 (1974),123.
2.    

orl-mus LD50:1800 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 21 (12)(1977),30.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
RIDADR: UN1648 3/PG 2
RTECS: YV9103000 

Specification

 Solan (CAS NO.2307-68-8) is also called Pentanochlor [BSI:ISO] ; 3'-Chloro-2-methyl-p-valerotoluidide ; BRN 2722779 ; CMMP ; Caswell No. 800 ; Chlorpentan ; Dakuron ; EPA Pesticide Chemical Code 020901 ; FMC 4512 ; Hortox ; N-(3-Chlor-methylphenyl)-2-methylpentanamid ; N-(3-Chlor-methylphenyl)-2-methylpentanamid [German] ; N-(3-Chloro-4-methylphenyl)-2-methylpentamide ; N-(3-Chloro-4-methylphenyl)-2-methylpentanamide ; N-(3-Chloro-p-tolyl)-2-methylvaleramide ; Niagara 4512 ; Pentachlore ; Pentanamide, N-(3-chloro-4-methylphenyl)-2-methyl- ; Pentanochlor ; Pentanochlore ; Pentanochlore [ISO-French] . Solan (CAS NO.2307-68-8) is moderate toxic. It will produce toxic chloride and nitrogen oxide gaswhen buring. So the storage environment should be ventilate, low-temperature and dry. Keep Solan (CAS NO.2307-68-8) separate from raw materials of food.