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CAS No.: | 2033-76-3 |
---|---|
Name: | 1-(2-BROMOETHOXY)-4-CHLOROBENZENE |
Article Data: | 43 |
Molecular Structure: | |
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: | Xn |
Risk Codes: | 36/37/38-20/22 |
Safety: | 36/37/39-26 |
PSA: | 9.23000 |
LogP: | 3.11370 |
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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