Acetic acid,2-(3-bromophenoxy)- supplier

Name
(3-BROMO-PHENOXY)-ACETIC ACID
EINECS
CAS No. 1798-99-8
Article Data13
CAS DataBase
Density 1.641 g/cm³
Solubility
Melting Point
Formula C₈H₇BrO₃
Boiling Point 328.5 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 152.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (3-bromophenoxy)- (9CI);Acetic acid, (m-bromophenoxy)- (6CI,7CI,8CI);2-(3-Bromophenyl)-2-hydroxyacetic acid;3-Bromophenoxyacetic acid;m-Bromophenoxyacetic acid;AC1LDVYO;AC1Q766K;HMS1399L14;
PSA 46.53000
LogP 1.91250

Acetic acid,2-(3-bromophenoxy)- Specification

The Acetic acid,2-(3-bromophenoxy)- with CAS registry number of 1798-99-8 is also known as 3-Bromophenoxyacetic acid. The IUPAC name is 2-(3-Bromophenoxy)acetic acid. In addition, the formula is C₈H₇BrO₃ and the molecular weight is 231.04.

Physical properties about Acetic acid,2-(3-bromophenoxy)- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 46.81 cm³; (15)Molar Volume: 140.7 cm³; (16)Polarizability: 18.56×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.641 g/cm³; (19)Flash Point: 152.4 °C; (20)Enthalpy of Vaporization: 60.26 kJ/mol; (21)Boiling Point: 328.5 °C at 760 mmHg; (22)Vapour Pressure: 7.63E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1cc(OCC(=O)O)ccc1
2. InChI: InChI=1/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
3. InChIKey: CRKQPDCSWOJBJY-UHFFFAOYAR
4. Std. InChI: InChI=1S/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
5. Std. InChIKey: CRKQPDCSWOJBJY-UHFFFAOYSA-N

Product Name

(3-BROMO-PHENOXY)-ACETIC ACID

Acetic acid,2-(3-bromophenoxy)- Specification

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