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Acetic acid,2-[4-(2-bromo-1-oxopropyl)phenoxy]-

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Name

Acetic acid,2-[4-(2-bromo-1-oxopropyl)phenoxy]-

EINECS N/A
CAS No. 33254-93-2 Density 1.542g/cm3
PSA 63.60000 LogP 2.11610
Solubility N/A Melting Point 139-142 °C
Formula C11H11BrO4 Boiling Point 423.2 °C at 760 mmHg
Molecular Weight 287.11 Flash Point 209.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 33254-93-2 (4-(2-BROMOPROPIONYL)PHENOXYACETIC ACID) Hazard Symbols IrritantXi
Synonyms

Aceticacid, [4-(2-bromo-1-oxopropyl)phenoxy]- (9CI);Acetic acid,[p-(2-bromopropionyl)phenoxy]- (8CI);4-(2-Bromopropionyl)phenoxyacetic acid;2-[4-(2-Bromopropanoyl)phenoxy]acetic acid;

 

Acetic acid,2-[4-(2-bromo-1-oxopropyl)phenoxy]- Specification

The Acetic acid,2-[4-(2-bromo-1-oxopropyl)phenoxy]- with CAS registry number of 33254-93-2 is also known as 2-[4-(2-Bromopropanoyl)phenoxy]acetic acid. The systematic name is [4-(2-Bromopropanoyl)phenoxy]acetic acid. In addition, the formula is C11H11BrO4 and the molecular weight is 287.11.

Physical properties about Acetic acid,2-[4-(2-bromo-1-oxopropyl)phenoxy]- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -1.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 61.48 cm3; (15)Molar Volume: 186.1 cm3; (16)Polarizability: 24.37×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.542 g/cm3; (19)Flash Point: 209.7 °C; (20)Enthalpy of Vaporization: 71.42 kJ/mol; (21)Boiling Point: 423.2 °C at 760 mmHg; (22)Vapour Pressure: 6.44E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: BrC(C(=O)c1ccc(OCC(=O)O)cc1)C
2. InChI: InChI=1/C11H11BrO4/c1-7(12)11(15)8-2-4-9(5-3-8)16-6-10(13)14/h2-5,7H,6H2,1H3,(H,13,14)
3. InChIKey: SQLRCYTWVMDUBW-UHFFFAOYAN
4. Std. InChI: InChI=1S/C11H11BrO4/c1-7(12)11(15)8-2-4-9(5-3-8)16-6-10(13)14/h2-5,7H,6H2,1H3,(H,13,14)
5. Std. InChIKey: SQLRCYTWVMDUBW-UHFFFAOYSA-N

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