Methyl 2-bromo-3-nitrobenzoate supplier

Name
METHYL 2-BROMO-3-NITROBENZOATE
EINECS
CAS No. 5337-09-7
Article Data17
CAS DataBase
Density 1.673g/cm³
Solubility
Melting Point 77 °C(Solv: methanol (67-56-1))
Formula C₈H₆BrNO₄
Boiling Point 300°Cat760mmHg
Molecular Weight 260.044
Flash Point 135.2°C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-3-nitrobenzoicacid methyl ester;Methyl 2-bromo-3-nitrobenzoate;NSC 10344;NSC 409;
PSA 72.12000
LogP 2.66710

Methyl 2-bromo-3-nitrobenzoate Specification

The Methyl 2-bromo-3-nitrobenzoate, with the CAS registry number 5337-09-7, is also called benzoic acid, 2-bromo-3-nitro-, methyl ester. It belongs to the category of pharmacetical. And the molecular formula of the chemical is C₈H₆BrNO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.45; (6)ACD/BCF (pH 7.4): 18.45; (7)ACD/KOC (pH 5.5): 280.41; (8)ACD/KOC (pH 7.4): 280.41; (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: 135.2 °C; (20)Enthalpy of Vaporization: 54 kJ/mol; (21)Boiling Point: 300 °C at 760 mmHg; (22)Vapour Pressure: 0.00115 mmHg at 25°C.

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

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1cccc(C(=O)OC)c1Br
(2)InChI: InChI=1/C8H6BrNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
(3)InChIKey: YUWPKYJCYRFBJT-UHFFFAOYAK

Product Name

METHYL 2-BROMO-3-NITROBENZOATE

Methyl 2-bromo-3-nitrobenzoate Specification

Related Products

Hot Products