CAS No.77501-60-1,Benzofluorfen Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77501-60-1
Name:	Benzofluorfen

Formula:	C₁₆H₉ClF₃NO₇
Molecular Weight:	419.70
Synonyms:	Benzofluorfen;Fluoroglycofen;
Density:	1.575 g/cm³
Melting Point:	65 °C
Boiling Point:	517.8 °C at 760 mmHg
Flash Point:	266.9 °C
Appearance:	Brown and black oil-like object
PSA:	118.65000
LogP:	4.82390

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Specification

The Benzoic acid,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, carboxymethyl ester, with the CAS registry number 77501-60-1, is also known as O-(5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoyl)glycolic acid. This chemical's molecular formula is C₁₆H₉ClF₃NO₇ and molecular weight is 419.69. Its IUPAC name is called 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyacetic acid.

Physical properties of Benzoic acid,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, carboxymethyl ester: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 87.08 cm³; (13)Molar Volume: 266.3 cm³; (14)Surface Tension: 51.4 dyne/cm; (15)Density: 1.575 g/cm³; (16)Flash Point: 266.9 °C; (17)Enthalpy of Vaporization: 83.19 kJ/mol; (18)Boiling Point: 517.8 °C at 760 mmHg; (19)Vapour Pressure: 1.51E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)O
(2)InChI: InChI=1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)
(3)InChIKey: DHAHEVIQIYRFRG-UHFFFAOYSA-N