CAS No.900-91-4,3,3,3-Triphenylpropionic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	900-91-4
Name:	3,3,3-Triphenylpropionic acid
Article Data:	20

Formula:	C₂₁H₁₈O₂
Molecular Weight:	302.373
Synonyms:	Propionicacid, 3,3,3-triphenyl- (6CI,7CI,8CI);3,3,3-Triphenylpropanoic acid;3,3,3-Triphenylpropionic acid;NSC 131292;
Density:	1.161 g/cm³
Melting Point:	179-183 °C
Boiling Point:	433.6 °C at 760 mmHg
Flash Point:	330.3 °C
Appearance:	WHITE TO SLIGHTLY YELLOW CRYSTALLINE POWDER
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	37.30000
LogP:	4.49570

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Specification

This chemical is called 3,3,3-Triphenylpropionic acid, and it can also be named as Tritylacetic Acid. With the molecular formula of C₂₁H₁₈O₂, its molecular weight is 302.37. The CAS registry number of this chemical is 900-91-4, and its product categories are C13 to C42+; Carbonyl Compounds; Carboxylic Acids.

Other characteristics of the 3,3,3-Triphenylpropionic acid can be summarised as followings: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 224.85; (6)ACD/BCF (pH 7.4): 3.73; (7)ACD/KOC (pH 5.5): 730.5; (8)ACD/KOC (pH 7.4): 12.1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 90.36 cm³; (15)Molar Volume: 260.4 cm³; (16)Polarizability: 35.82×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 330.3 °C; (20)Enthalpy of Vaporization: 72.68 kJ/mol; (21)Boiling Point: 433.6 °C at 760 mmHg; (22)Vapour Pressure: 2.75E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(c1ccccc1)(c2ccccc2)c3ccccc3
2.InChI: InChI=1/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
3.InChIKey: XMSJLUKCGWQAHO-UHFFFAOYAH
4.Std. InChI: InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
5.Std. InChIKey: XMSJLUKCGWQAHO-UHFFFAOYSA-N