CAS No.143269-74-3,3-Amino-4-chlorobenzoic acid hexadecyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	143269-74-3
Name:	3-Amino-4-chlorobenzoic acid hexadecyl ester
Article Data:	2

Formula:	C₂₃H₃₈ClNO₂
Molecular Weight:	396.013
Synonyms:	Hexadecyl3-amino-4-chlorobenzoate;3-Amino-4-chlorobenzoic acid hexadecyl ester;
EINECS:	419-700-6
Density:	1.017 g/cm³
Boiling Point:	495.5 °C at 760 mmHg
Flash Point:	253.5 °C
Appearance:	white crystal
Hazard Symbols:	N
Risk Codes:	51/53
Safety:	61
PSA:	52.32000
LogP:	8.14150

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Specification

The IUPAC name of 3-Amino-4-chlorobenzoic acid hexadecyl ester is hexadecyl 3-amino-4-chlorobenzoate. With the CAS registry number 143269-74-3, it is also named as Benzoic acid,3-amino-4-chloro-, hexadecyl ester. The product's category is Organic Acids. In addition, its molecular formula is C₂₃H₃₈ClNO₂ and its molecular weight is 396.01.

The other characteristics of 3-Amino-4-chlorobenzoic acid hexadecyl ester can be summarized as: (1)EINECS: 419-700-6; (2)ACD/LogP: 9.93; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 9.93; (5)ACD/LogD (pH 7.4): 9.93; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 5984785.5; (9)ACD/KOC (pH 7.4): 5985350.5; (10)#H bond acceptors: 3; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 18; (13)Polar Surface Area: 29.54 Å²; (14)Index of Refraction: 1.511; (15)Molar Refractivity: 116.65 cm³; (16)Molar Volume: 389.1 cm³; (17)Polarizability: 46.24×10^-24cm³; (18)Surface Tension: 38.6 dyne/cm; (19)Density: 1.017 g/cm³; (20)Flash Point: 253.5 °C; (21)Enthalpy of Vaporization: 76.31 kJ/mol; (22)Boiling Point: 495.5 °C at 760 mmHg; (23)Vapour Pressure: 5.85E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. You should avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc(C(=O)OCCCCCCCCCCCCCCCC)cc1N
(2)InChI: InChI=1/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3
(3)InChIKey: WZPMUDCUMKEHSE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3
(5)Std. InChIKey: WZPMUDCUMKEHSE-UHFFFAOYSA-N