CAS No.20676-54-4,METHYL 2-ACETAMIDO-5-CHLOROBENZOATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	20676-54-4
Name:	METHYL 2-ACETAMIDO-5-CHLOROBENZOATE
Article Data:	4

Formula:	C₁₀H₁₀ClNO₃
Molecular Weight:	227.647
Synonyms:	Anthranilicacid, N-acetyl-5-chloro-, methyl ester (6CI,8CI);Methyl5-chloro-N-acetylanthranilate;Methyl N-acetyl-5-chloroanthranilate;
EINECS:	-0
Density:	1.32g/cm³
Melting Point:	126-130 °C(lit.)
Boiling Point:	409 °C at 760 mmHg
Flash Point:	201.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.40000
LogP:	2.15800

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- China (Mainland)(23)
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Specification

The Benzoic acid,2-(acetylamino)-5-chloro-, methyl ester, with CAS registry number 20676-54-4, belongs to the following product categories: (1)Aromatic Esters; (2)Benzoic acid; (3)Acids & Esters; (4)Anilines, Amides & Amines; (5)Chlorine Compounds; (6)C10 to C11; (7)Carbonyl Compounds; (8)Esters. It has the systematic name of methyl 2-(acetylamino)-5-chlorobenzoate. And the chemical formula of this chemical is C₁₀H₁₀ClNO₃.

Physical properties of Benzoic acid,2-(acetylamino)-5-chloro-, methyl ester: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.83; (6)ACD/BCF (pH 7.4): 63.83; (7)ACD/KOC (pH 5.5): 681.79; (8)ACD/KOC (pH 7.4): 681.79; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 57.19 cm³; (15)Molar Volume: 172.3 cm³; (16)Polarizability: 22.67×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 201.2 °C; (20)Enthalpy of Vaporization: 66.11 kJ/mol; (21)Boiling Point: 409 °C at 760 mmHg; (22)Vapour Pressure: 6.71E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,2-(acetylamino)-5-chloro-, methyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(NC(=O)C)cc1)C(=O)OC
(2)InChI: InChI=1/C10H10ClNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
(3)InChIKey: TVAAIYFBEWHVCV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H10ClNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
(5)Std. InChIKey: TVAAIYFBEWHVCV-UHFFFAOYSA-N