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2033-76-3

Basic Information
CAS No.: 2033-76-3
Name: 1-(2-BROMOETHOXY)-4-CHLOROBENZENE
Article Data: 43
Molecular Structure:
Molecular Structure of 2033-76-3 (1-(2-BROMOETHOXY)-4-CHLOROBENZENE)
Formula: C8H8BrClO
Molecular Weight: 235.508
Synonyms: Phenetole,b-bromo-p-chloro- (6CI,7CI,8CI);1-(2-Bromoethoxy)-4-chlorobenzene;1-Bromo-2-(4-chlorophenoxy)ethane;2-(4-Chlorophenoxy)ethyl bromide;2-(p-Chlorophenoxy)ethyl bromide;4-(2-Bromoethoxy)-1-chlorobenzene;4-Chlorophenoxyethyl bromide;NSC 404198;b-Bromo-p-chlorophenetole;
EINECS: 217-994-9
Density: 1.518 g/cm3
Melting Point: 40-42 °C(lit.)
Boiling Point: 292 °C at 760 mmHg
Flash Point: 121.5 °C
Appearance: Clear liquid or low melting solid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/22
Safety: 36/37/39-26
PSA: 9.23000
LogP: 3.11370
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Specification

The CAS register number of Benzene,1-(2-bromoethoxy)-4-chloro- is 2033-76-3. It also can be called as 2-Bromoethyl 4-chlorophenyl ether and the systematic name about this chemical is 1-(2-bromoethoxy)-4-chlorobenzene. The molecular formula about this chemical is C8H8BrClO and the molecular weight is 235.51. It belongs to the following product categories which include Ethers; Organic Building Blocks; Oxygen Compounds and so on.

Physical properties about Benzene,1-(2-bromoethoxy)-4-chloro- are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3.58; (3)ACD/LogD (pH 7.4): 3.58; (4)ACD/BCF (pH 5.5): 312.32; (5)ACD/BCF (pH 7.4): 312.32; (6)ACD/KOC (pH 5.5): 2124.4; (7)ACD/KOC (pH 7.4): 2124.4; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 50.19 cm3; (13)Molar Volume: 155 cm3; (14)Polarizability: 19.89x10-24cm3; (15)Surface Tension: 40.7 dyne/cm; (16)Flash Point: 121.5 °C; (17)Enthalpy of Vaporization: 51.02 kJ/mol; (18)Boiling Point: 292 °C at 760 mmHg; (19)Vapour Pressure: 0.00329 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-phenol and 1,2-dibromo-ethane. This reaction will need reagent NaOH.

Uses of Benzene,1-(2-bromoethoxy)-4-chloro-: it can be used to produce O-(4-chloro-phenyl)-homoserine with acetylamino-malonic acid diethyl ester. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: Clc1ccc(OCCBr)cc1
(2)InChI: InChI=1/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
(3)InChIKey: YYFLBDSMQRWARK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
(5)Std. InChIKey: YYFLBDSMQRWARK-UHFFFAOYSA-N