CAS No.3016-76-0,4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3016-76-0
Name:	4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID
Article Data:	11

Formula:	C₁₉H₁₀F₆O₈
Molecular Weight:	480.274
Synonyms:	Phthalicacid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di- (7CI);Phthalicacid, 4,4'-[trifluoro-1-(trifluoromethyl)ethylidene]di- (8CI);2,2-Bis(3,4-dicarboxyphenyl)hexafluoropropane;2,2-Bis(3,4-dicarboxyphenyl)perfluoropropane;4,4'-Hexafluoroisopropylidenebis(phthalic acid);
EINECS:	221-154-7
Density:	1.682 g/cm³
Melting Point:	240-241 °C
Boiling Point:	572.3 °C at 760 mmHg
Flash Point:	299.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-36
PSA:	149.20000
LogP:	3.89010

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Specification

The IUPAC name of 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid is 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid. With the CAS registry number 3016-76-0, it is also named as 1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-. Besides, it should be stored in cool and ventilated place at room temperature. In addition, its molecular formula is C₁₉H₁₀F₆O₈ and molecular weight is 480.27.

The other characteristics of 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid can be summarized as: (1)EINECS: 221-154-7; (2)ACD/LogP: 1.47; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.63; (5)ACD/LogD (pH 7.4): -4.64; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 8; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 6; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 93.03 cm³; (15)Molar Volume: 285.6 cm³; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.681 g/cm³; (18)Flash Point: 299.9 °C; (19)Melting Point: 240-241°C; (20)Enthalpy of Vaporization: 90.26 kJ/mol; (21)Boiling Point: 572.3 °C at 760 mmHg; (22)Vapour Pressure: 6.14E-14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C(c1cc(C(=O)O)c(C(=O)O)cc1)(c2cc(c(cc2)C(=O)O)C(=O)O)C(F)(F)F
(2)InChI: InChI=1/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
(3)InChIKey: APXJLYIVOFARRM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
(5)Std. InChIKey: APXJLYIVOFARRM-UHFFFAOYSA-N