Aceticacid, 2-[(1-bromo-2-naphthalenyl)oxy]- supplier

Name
(1-BROMO-NAPHTHALEN-2-YLOXY)-ACETIC ACID
EINECS
CAS No. 41791-59-7
Article Data7
CAS DataBase
Density 1.607 g/cm³
Solubility
Melting Point
Formula C₁₂H₉BrO₃
Boiling Point 433.3 °C at 760 mmHg
Molecular Weight 281.10
Flash Point 215.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (1-bromo-2-naphthyloxy)- (5CI);Acetic acid,[(1-bromo-2-naphthalenyl)oxy]- (9CI);(1-Bromonaphthalen-2-yloxy)acetic acid;[(1-Bromo-2-naphthyl)oxy]acetic acid;[(1-Bromonaphthalen-2-yl)oxy]acetic acid;2-((1-Bromonaphthalen-2-yl)oxy)acetic acid;2-(1-Bromo-2-naphthyloxy)acetic acid;ZINC00096485;AC1MSPKJ;HMS1409I09;CID3563014;
PSA 46.53000
LogP 3.06570

Aceticacid, 2-[(1-bromo-2-naphthalenyl)oxy]- Specification

The Aceticacid, 2-[(1-bromo-2-naphthalenyl)oxy]- with CAS registry number of 41791-59-7 is also known as [(1-Bromo-2-naphthyl)oxy]acetic acid. The IUPAC name is 2-(1-Bbromonaphthalen-2-yl)oxyacetate. In addition, the formula is C₁₂H₉BrO₃ and the molecular weight is 281.10.

Physical properties about Aceticacid, 2-[(1-bromo-2-naphthalenyl)oxy]- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53Å²; (11)Index of Refraction: 1.661; (12)Molar Refractivity: 64.66 cm³; (13)Molar Volume: 174.8 cm³; (14)Polarizability: 25.63×10^-24cm³; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.607 g/cm³; (17)Flash Point: 215.9 °C; (18)Enthalpy of Vaporization: 72.65 kJ/mol; (19)Boiling Point: 433.3 °C at 760 mmHg; (20)Vapour Pressure: 2.81E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)COc2ccc1ccccc1c2Br
2. InChI: InChI=1/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15)
3. InChIKey: KKZQQUCWIZZKDD-UHFFFAOYAA
4. Std. InChI: InChI=1S/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15)
5. Std. InChIKey: KKZQQUCWIZZKDD-UHFFFAOYSA-N

Product Name

(1-BROMO-NAPHTHALEN-2-YLOXY)-ACETIC ACID

Aceticacid, 2-[(1-bromo-2-naphthalenyl)oxy]- Specification

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