Methyl 5-bromo-2-methyl-3-nitrobenzoate supplier

Name
5-BROMO-2-METHYL-3-NITROPHENYL METHYLCARBOXYLATE
EINECS 1533716-785-6
CAS No. 220514-28-3
Article Data25
CAS DataBase
Density 1.597 g/cm³
Solubility
Melting Point 51.0 to 55.0 °C
Formula C₉H₈BrNO₄
Boiling Point 329.563 °C at 760 mmHg
Molecular Weight 274.071
Flash Point 153.114 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 5-bromo-2-methyl-3-nitro-benzoate;
PSA 72.12000
LogP 2.97550

Methyl 5-bromo-2-methyl-3-nitrobenzoate Specification

The Benzoic acid, 5-bromo-2-methyl-3-nitro-, methyl ester, has the CAS registry number 220514-28-3. This chemical's molecular formula is C₉H₈BrNO₄ and molecular weight is 274.07. What's more, its systematic name is Methyl 5-bromo-2-methyl-3-nitro-benzoate.

Physical properties about Benzoic acid, 5-bromo-2-methyl-3-nitro-, methyl ester are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.817; (4)ACD/LogD (pH 7.4): 2.817; (5)ACD/BCF (pH 5.5): 81.523; (6)ACD/BCF (pH 7.4): 81.523; (7)ACD/KOC (pH 5.5): 812.283; (8)ACD/KOC (pH 7.4): 812.283; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 57.087 cm³; (15)Molar Volume: 171.628 cm³; (16)Polarizability: 22.631×10^-24 cm³; (17)Surface Tension: 49.721 dyne/cm; (18)Density: 1.597 g/cm³; (19)Flash Point: 153.114 °C; (20)Enthalpy of Vaporization: 57.206 kJ/mol; (21)Boiling Point: 329.563 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: Cc1c(cc(cc1[N+](=O)[O-])Br)C(=O)OC
(2) InChI: InChI=1/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
(3) InChIKey: UPBDNPCJIJAMPI-UHFFFAOYAD

Product Name

5-BROMO-2-METHYL-3-NITROPHENYL METHYLCARBOXYLATE

Methyl 5-bromo-2-methyl-3-nitrobenzoate Specification

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