Benzeneacetic acid, 4-bromo-2-nitro-, methyl ester supplier

Name
Methyl 2-(4-bromo-2-nitrophenyl)acetate
EINECS
CAS No. 100487-82-9
Article Data22
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point
Formula C₉H₈BrNO₄
Boiling Point 331.702 °C at 760 mmHg
Molecular Weight 274.071
Flash Point 154.408 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Bromo-2-nitrophenyl)aceticacid methyl ester;2-(4-Bromo-2-nitrophenyl)acetic acid methyl ester;Methyl (4-bromo-2-nitrophenyl)acetate;Methyl 2-(4-bromo-2-nitrophenyl)acetate;
PSA 72.12000
LogP 2.59600

Benzeneacetic acid, 4-bromo-2-nitro-, methyl ester Specification

The Benzeneacetic acid, 4-bromo-2-nitro-, methyl ester, with the CAS registry number 100487-82-9, is also known as Methyl 2-(4-bromo-2-nitrophenyl)acetate. It belongs to the product categories of blocks; Bromides; Carboxes. This chemical's molecular formula is C₉H₈BrNO₄ and molecular weight is 274.0681. What's more, its systematic name is Methyl (4-bromo-2-nitrophenyl)acetate.

Physical properties about Benzeneacetic acid, 4-bromo-2-nitro-, methyl ester are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 31; (6)ACD/BCF (pH 7.4): 31; (7)ACD/KOC (pH 5.5): 410; (8)ACD/KOC (pH 7.4): 410; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 56.445 cm³; (15)Molar Volume: 170.266 cm³; (16)Polarizability: 22.377×10^-24 cm³; (17)Surface Tension: 50.712 dyne/cm; (18)Density: 1.61 g/cm³; (19)Flash Point: 154.408 °C; (20)Enthalpy of Vaporization: 57.44 kJ/mol; (21)Boiling Point: 331.702 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(CC(=O)OC)cc1)N(=O)=O
(2) InChI: InChI=1/C9H8BrNO4/c1-15-9(12)4-6-2-3-7(10)5-8(6)11(13)14/h2-3,5H,4H2,1H3
(3) InChIKey: KHXUTOLCCFWPDH-UHFFFAOYAB

Product Name

Methyl 2-(4-bromo-2-nitrophenyl)acetate

Benzeneacetic acid, 4-bromo-2-nitro-, methyl ester Specification

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