4-Bromophenol acetate supplier

Name
4-Bromophenol acetate
EINECS 217-668-6
CAS No. 1927-95-3
Article Data136
CAS DataBase
Density 1.501 g/cm³
Solubility
Melting Point 21.5 °C
Formula C₈H₇BrO₂
Boiling Point 250.9 °C at 760 mmHg
Molecular Weight 215.046
Flash Point 105.5 °C
Transport Information
Appearance white like or light brown crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,4-bromo-, acetate (9CI);Phenol, p-bromo-, acetate (6CI,7CI,8CI);1-Acetoxy-4-bromobenzene;4-Acetoxybromobenzene;4-Bromoacetoxybenzene;4-Bromophenol acetate;4-Bromophenyl acetate;NSC 404083;p-Acetoxybromobenzene;p-Bromophenyl acetate;
PSA 26.30000
LogP 2.37440

4-Bromophenol acetate Specification

The 4-Bromophenol acetate, with the CAS registry number 1927-95-3 and EINECS registry number 217-668-6, has the systematic name of 4-bromophenyl acetate. It is a kind of organic, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₈H₇BrO₂.

The physical properties of 4-Bromophenol acetate are as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.22; (6)ACD/BCF (pH 7.4): 52.22; (7)ACD/KOC (pH 5.5): 590.55; (8)ACD/KOC (pH 7.4): 590.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 45.28 cm³; (15)Molar Volume: 143.2 cm³; (16)Polarizability: 17.95×10^-24cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.501 g/cm³; (19)Flash Point: 105.5 °C; (20)Enthalpy of Vaporization: 48.82 kJ/mol; (21)Boiling Point: 250.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0211 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OC(=O)C)cc1
(2)InChI: InChI=1/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
(3)InChIKey: XEXHCQJRVMVJMY-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 104, 1956.

Product Name

4-Bromophenol acetate

4-Bromophenol acetate Specification

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