CAS No.31188-91-7,3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31188-91-7
Name:	3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide
Article Data:	3

Formula:	C₃₄H₃₇Cl₃N₄O₄
Molecular Weight:	672.051
Synonyms:	Acetanilide,2-(2,4-di-tert-pentylphenoxy)-3'-[[5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]carbamoyl]-(6CI);Benzamide,3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-(9CI);Benzamide, m-[2-(2,4-di-tert-pentylphenoxy)acetamido]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]-(8CI);1-(2,4,6-Trichlorophenyl)-3-[3-(2,4-di-tert-amylphenoxy-acetamido)benzamido]-5-pyrazolone;1-(2',4',6'-Trichlorophenyl)-3-[3''-(2''',4'''-di-tert-amylphenoxyacetamido)benzamido]-5-pyrazolone;Component 3P-24;
EINECS:	250-507-8
Density:	1.28 g/cm³
Melting Point:	140 °C (dec.)(lit.)
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	100.10000
LogP:	8.48420

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Chemistry

IUPAC Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Empirical Formula: C₃₄H₃₇Cl₃N₄O₄
Molecular Weight: 672.041
EINECS: 250-507-8
Structure of Benzamide,3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]- (CAS NO.31188-91-7):

Index of Refraction: 1.606
Molar Refractivity: 179.87 cm³
Molar Volume: 521.3 cm³
Polarizability: 71.3×10^-24cm³
Surface Tension: 44.7 dyne/cm
Density: 1.28 g/cm³
Melting Point: 140 °C (dec.)(lit.)
Product Categories: Organics
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3)C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)CC
InChI: InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)
InChIKey: QDIMMGOJTIUSOA-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC	inhalation	> 1gm/m3 (1000mg/m3)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(3), Pg. 48, 1988.
rat	LD	oral	> 6gm/kg (6000mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(3), Pg. 48, 1988.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: CV2357200

Specification

Benzamide,3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]- , its cas register number is 31188-91-7. It also can be called Component 3P-24 ; 3-({[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide .