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CAS No.: | 7693-45-0 |
---|---|
Name: | 4-CHLOROPHENYL CHLOROFORMATE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H4Cl2O2 |
Molecular Weight: | 191.014 |
Synonyms: | Formicacid, chloro-, p-chlorophenyl ester (6CI,8CI);4-Chlorophenylcarbonochloridate;4-Chlorophenyl chloroformate;p-Chlorophenylchlorocarbonate;p-Chlorophenyl chloroformate;carbonochloridic acid, 4-chlorophenyl ester;formic acid,chloro,(4-chlorophenyl) ester; |
Density: | 1.426 g/cm3 |
Melting Point: | 30 °C |
Boiling Point: | 222.6 °C at 760 mmHg |
Flash Point: | 106 °C |
Hazard Symbols: | T;C |
Risk Codes: | 23/24/25-34 |
Safety: | 26-28-36/37/39-45 |
PSA: | 26.30000 |
LogP: | 3.07760 |
Conditions | Yield |
---|---|
With CoCl2 In phosgene | 85% |
4-chlorophenyl chlorothionoformate
mercury di-
A
4-Chlorophenyl chloroformate
B
perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)
Conditions | Yield |
---|---|
In trichlorofluoromethane for 48h; Ambient temperature; | A 23% B 12% C 12% D 65% |
Conditions | Yield |
---|---|
In toluene; benzene for 2h; Ambient temperature; | 60% |
Conditions | Yield |
---|---|
With antipyrine | |
With pyridine In dichloromethane at 0℃; |
bis(trichloromethyl) carbonate
4-chloro-phenol
4-Chlorophenyl chloroformate
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 40℃; for 0.5h; | |
With triethylamine In tetrahydrofuran at 0 - 20℃; for 6.25h; Inert atmosphere; | |
With N,N-diethylaniline In toluene at 20℃; for 2h; Cooling with ice; | |
With triethylamine In dichloromethane at 0℃; for 0.5h; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / NaH / benzene; diethyl ether / 0.5 h 2: 60 percent / benzene; toluene / 2 h / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
With dmap In toluene at 20℃; for 24h; |
4-Chlorophenyl chloroformate
4-chlorophenyl 2-(2-fluoro-4-methoxyphenyl)hydrazinecarboxylate
Conditions | Yield |
---|---|
With pyridine In 1-methyl-pyrrolidin-2-one at 0 - 20℃; for 1.5h; | 100% |
4-Chlorophenyl chloroformate
3'-azido-2',3'-deoxythymidine
C17H16ClN5O6
Conditions | Yield |
---|---|
With pyridine | 100% |
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The Carbonochloridic acid,4-chlorophenyl ester, with the CAS registry number 7693-45-0, has the systematic name of 4-chlorophenyl carbonochloridate. It is a kind of moisture sensitive chemical, and belongs to the following product categories: Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C7H4Cl2O2.
The characteristics of Carbonochloridic acid,4-chlorophenyl ester are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.53; (6)ACD/BCF (pH 7.4): 265.53; (7)ACD/KOC (pH 5.5): 1891.44; (8)ACD/KOC (pH 7.4): 1891.44; (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: 1.55; (14)Molar Refractivity: 42.7 cm3; (15)Molar Volume: 133.8 cm3; (16)Polarizability: 16.92×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 106 °C; (20)Enthalpy of Vaporization: 45.91 kJ/mol; (21)Boiling Point: 222.6 °C at 760 mmHg; (22)Vapour Pressure: 0.101 mmHg at 25°C.
Preparation of Carbonochloridic acid,4-chlorophenyl ester: This chemical can be prepared by carbonyl dichloride and 4-chloro-phenol; sodium salt. The reaction will need reagent benzene and toluene. The reaction time is 2 hours with ambient temperature, and the yield is about 60%.
Uses of Carbonochloridic acid,4-chlorophenyl ester: It can react with phenylurea to produce 4-phenyl-allophanic acid-(4-chloro-phenyl ester). This reaction will need reagent pyridine, and the menstruum benzene. The reaction time is 1 hour with ambient temperature, and the yield is about 55%.
You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed, and it may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(OC(Cl)=O)cc1
(2)InChI: InChI=1/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
(3)InChIKey: RYWGPCLTVXMMHO-UHFFFAOYAQ