Benzoic acid,2-(acetylamino)-3-nitro-, methyl ester supplier

Name
METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE
EINECS
CAS No. 95067-27-9
Article Data4
CAS DataBase
Density 1.382 g/cm³
Solubility
Melting Point 121-122 °C
Formula C₁₀H₁₀N₂O₅
Boiling Point 451.3 °C at 760 mmHg
Molecular Weight 238.2
Flash Point 226.7 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms Methyl2-(acetylamino)-3-nitrobenzoate;
PSA 101.22000
LogP 1.93600

Benzoic acid,2-(acetylamino)-3-nitro-, methyl ester Specification

The Benzoic acid,2-(acetylamino)-3-nitro-, methyl ester, with the CAS registry number 95067-27-9, is also known as Methyl 2-acetamido-3-nitrobenzoate. This chemical's molecular formula is C₁₀H₁₀N₂O₅ and molecular weight is 238.1968. Its systematic name is called methyl 2-(acetylamino)-3-nitrobenzoate.

Physical properties of Benzoic acid,2-(acetylamino)-3-nitro-, methyl ester: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 1.46; (4)ACD/BCF (pH 5.5): 7.58; (5)ACD/BCF (pH 7.4): 7.58; (6)ACD/KOC (pH 5.5): 148.4; (7)ACD/KOC (pH 7.4): 148.4; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 58.84 cm³; (13)Molar Volume: 172.2 cm³; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.382 g/cm³; (16)Flash Point: 226.7 °C; (17)Enthalpy of Vaporization: 71.03 kJ/mol; (18)Boiling Point: 451.3 °C at 760 mmHg; (19)Vapour Pressure: 2.46E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. You should not breathe its dust. What's more, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(cccc1[N+]([O-])=O)C(=O)OC)C
(2)InChI: InChI=1/C10H10N2O5/c1-6(13)11-9-7(10(14)17-2)4-3-5-8(9)12(15)16/h3-5H,1-2H3,(H,11,13)
(3)InChIKey: PHFRWNCHBPVTJN-UHFFFAOYAX

Product Name

METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE

Benzoic acid,2-(acetylamino)-3-nitro-, methyl ester Specification

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