Methyl 4-bromo-3-nitrobenzoate supplier

Name
Methyl 4-bromo-3-nitrobenzoate
EINECS
CAS No. 2363-16-8
Article Data13
CAS DataBase
Density 1.673 g/cm³
Solubility
Melting Point 102-103 °C
Formula C₈H₆BrNO₄
Boiling Point 320.9 °C at 760 mmHg
Molecular Weight 260.044
Flash Point 147.9 °C
Transport Information
Appearance colorless crystals
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-3-nitrobenzoicacid methyl ester;4-Bromo-3-nitrobenzoic acid methyl ester;
PSA 72.12000
LogP 2.66710

Methyl 4-bromo-3-nitrobenzoate Specification

The Benzoic acid,4-bromo-3-nitro-, methyl ester, with the CAS registry number 2363-16-8, has the systematic name of methyl 4-bromo-3-nitrobenzoate. And the molecular formula of this chemical is C₈H₆BrNO₄. It belongs to the following product categories: Blocks; Bromides; Carboxes; NitroCompounds; Aromatic Esters.

The physical properties of Benzoic acid,4-bromo-3-nitro-, methyl ester are as following: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.28; (6)ACD/BCF (pH 7.4): 37.28; (7)ACD/KOC (pH 5.5): 463.96; (8)ACD/KOC (pH 7.4): 463.96; (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: 1.587; (14)Molar Refractivity: 52.26 cm³; (15)Molar Volume: 155.3 cm³; (16)Polarizability: 20.71×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.673 g/cm³; (19)Flash Point: 147.9 °C; (20)Enthalpy of Vaporization: 56.26 kJ/mol; (21)Boiling Point: 320.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000309 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Br)C(=O)OC
(2)InChI: InChI=1/C8H6BrNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
(3)InChIKey: BNNDHGPPQZVKMX-UHFFFAOYAB

Product Name

Methyl 4-bromo-3-nitrobenzoate

Methyl 4-bromo-3-nitrobenzoate Specification

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