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Name	4'-Chloro-2,2-dimethylvaleranilide	EINECS	N/A
CAS No.	7287-36-7	Density	1.104g/cm³
PSA	29.10000	LogP	4.17780
Solubility	22.8mg/L(23 oC)	Melting Point	87-88℃
Formula	C13H18 Cl N O	Boiling Point	378.1°C at 760 mmHg
Molecular Weight	239.745	Flash Point	182.4°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by ingestion and skin contact. A pesticide. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.	Risk Codes	R21
Molecular Structure		Hazard Symbols	Xn
Synonyms	Valeranilide,4'-chloro-2,2-dimethyl- (7CI,8CI); D 90A; Monalide; N-(4-Chlorophenyl)-a,a-dimethylvaleramide; Potablan; Potablan D 85	Article Data	2

4'-Chloro-2,2-dimethylvaleranilide Chemical Properties

Molecule structure of 4'-Chloro-2,2-dimethylvaleranilide (CAS NO.7287-36-7) :

IUPAC Name: N-(4-chlorophenyl)-2,2-dimethylpentanamide
Molecular Weight: 239.74112 g/mol
Molecular Formula: C₁₃H₁₈ClNO
Density: 1.104 g/cm³
Melting Point: 87-88 deg C
Boiling Point: 378.1 °C at 760 mmHg
Flash Point: 182.4 °C
Molar Volume: 217 cm³
Polarizability: 27.17*10^-24 cm³
Surface Tension: 38.5 dyne/cm
Enthalpy of Vaporization: 62.59 kJ/mol
log P (octanol-water): 3.83
Water Solubility: 22.8 mg/L
Vapor Pressure: 2.92E-06 mm Hg
Henry's Law Constant :1.89E-08 atm-m³/mole
Atmospheric OH Rate Constant: 1.05E-11 cm³/molecule-sec
XLogP3: 3.8
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)C(=O)NC1=CC=C(C=C1)Cl
InChI: InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKey: KXGYBSNVFXBPNO-UHFFFAOYSA-N
EINECS: 230-712-9

4'-Chloro-2,2-dimethylvaleranilide Toxicity Data With Reference

1.	orl-rat LD50:2600 mg/kg	85ARAE Agricultural Chemicals. 2 (1977),220.
2.	skn-rat LD50:>800 mg/kg	PEMNDP Pesticide Manual. 9 (1991),596.
3.	skn-rbt LD50:800 mg/kg	85JFAN Agrochemicals Handbook ,Hartley, D., andH. Kidd, eds.,Nottingham, UK.: Royal Soc. of Chemistry,1983,A283.

4'-Chloro-2,2-dimethylvaleranilide Consensus Reports

EPA Genetic Toxicology Program.

4'-Chloro-2,2-dimethylvaleranilide Safety Profile

Moderately toxic by ingestion and skin contact. A pesticide. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.
Hazard Codes: Harmful Xn
Risk Statements: 21
R21: Harmful in contact with skin
Safety Statements: 36/37
R36/37: Irritating to eyes and respiratory system
RIDADR: 2588
RTECS: YV6010000
HazardClass: 6.1(b)
PackingGroup: III

4'-Chloro-2,2-dimethylvaleranilide Specification

4'-Chloro-2,2-dimethylvaleranilide (CAS NO.7287-36-7) is also called 4'-Chloro-alpha,alpha-dimethylvaleranilide ; 4-Chloranilid kyseliny 2,2-dimethylvalerove ; BRN 5528162 ; Caswell No. 188AA ; D-90-A ; EPA Pesticide Chemical Code 288400 ; Monalide ; N-(4-Chlor-phenyl)-2,2-dimethyl-valeriansaeureamid ; N-(4-Chlorophenyl)-2,2-dimethylpentanamide ; N-(4-Chlorophenyl)-2,2-dimethylvaleramide (9CI) ; N-(4-Chlorophenyl)-2,2-dimethylvaleroamide ; N-(4-Chlorphenyl)-2,2-dimethylpentamid . 4'-Chloro-2,2-dimethylvaleranilide (CAS NO.7287-36-7) is moderate toxic. It will produce toxic nitrogen oxide and chloride gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 4'-Chloro-2,2-dimethylvaleranilide (CAS NO.7287-36-7) separate from raw materials of food.

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