Benzoic acid,2-(acetylamino)-5-nitro-, methyl ester supplier

Name
METHYL 2-(ACETYLAMINO)-5-NITROBENZOATE
EINECS
CAS No. 5409-45-0
Article Data3
CAS DataBase
Density 1.382 g/cm³
Solubility
Melting Point 172.5-177.5 °C(lit.)
Formula C₁₀H₁₀N₂O₅
Boiling Point 468.9 °C at 760 mmHg
Molecular Weight 238.2
Flash Point 237.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthranilicacid, N-acetyl-5-nitro-, methyl ester (8CI);NSC 12468;Methyl 2-acetamido-5-nitrobenzoate;Methyl 2-(acetylamino)-5-nitrobenzoate;
PSA 101.22000
LogP 1.93600

Benzoic acid,2-(acetylamino)-5-nitro-, methyl ester Specification

The Benzoic acid,2-(acetylamino)-5-nitro-, methyl ester, with the CAS registry number 5409-45-0, is also known as Methyl 2-acetamido-5-nitrobenzoate. It belongs to the product categories of Aromatic Esters; C10 to C11; Carbonyl Compounds; Esters. This chemical's molecular formula is C₁₀H₁₀N₂O₅ and molecular weight is 238.2. What's more, its systematic name is Methyl 2-(acetylamino)-5-nitrobenzoate.

Physical properties of Benzoic acid,2-(acetylamino)-5-nitro-, methyl ester are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.07; (6)ACD/BCF (pH 7.4): 24.07; (7)ACD/KOC (pH 5.5): 339.2; (8)ACD/KOC (pH 7.4): 339.2; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 92.43 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 58.84 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 23.32×10^-24 cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.382 g/cm³; (19)Flash Point: 237.4 °C; (20)Enthalpy of Vaporization: 73.12 kJ/mol; (21)Boiling Point: 468.9 °C at 760 mmHg; (22)Vapour Pressure: 5.74E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1C(=O)OC)[N+]([O-])=O)C
(2)InChI: InChI=1S/C10H10N2O5/c1-6(13)11-9-4-3-7(12(15)16)5-8(9)10(14)17-2/h3-5H,1-2H3,(H,11,13)
(3)InChIKey: HAKPLTBAUCAFMV-UHFFFAOYSA-N

Product Name

METHYL 2-(ACETYLAMINO)-5-NITROBENZOATE

Benzoic acid,2-(acetylamino)-5-nitro-, methyl ester Specification

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