Carbonochloridic acid,4-chlorophenyl ester supplier

Name
4-CHLOROPHENYL CHLOROFORMATE
EINECS
CAS No. 7693-45-0
Article Data25
CAS DataBase
Density 1.426 g/cm³
Solubility
Melting Point 30 °C
Formula C₇H₄Cl₂O₂
Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 191.014
Flash Point 106 °C
Transport Information
Appearance
Safety 26-28-36/37/39-45
Risk Codes 23/24/25-34
Molecular Structure
Hazard Symbols T；C
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;
PSA 26.30000
LogP 3.07760

Synthetic route

: 106-48-9
4-chloro-phenol

: 603-35-0
triphenylphosphine

: 7693-45-0
4-Chlorophenyl chloroformate

Conditions

Conditions	Yield
With CoCl2 In phosgene	85%

: 937-64-4
4-chlorophenyl chlorothionoformate

: 21799-99-5, 34817-63-5
mercury di-

A: 7693-45-0
4-Chlorophenyl chloroformate

B: 6141-72-6
perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)

C: C9H4ClF6NO3

D: C9H4ClF6NO2S

Conditions

Conditions	Yield
In trichlorofluoromethane for 48h; Ambient temperature;	A 23% B 12% C 12% D 65%

...Expand

: 75-44-5
phosgene

: 1193-00-6
sodium 4-chlorophenolate

: 7693-45-0
4-Chlorophenyl chloroformate

Conditions

Conditions	Yield
In toluene; benzene for 2h; Ambient temperature;	60%

: 75-44-5
phosgene

: 60-80-0
antipyrine

: 106-48-9
4-chloro-phenol

: 7693-45-0
4-Chlorophenyl chloroformate

...Expand

: 75-44-5
phosgene

: 106-48-9
4-chloro-phenol

: 7693-45-0
4-Chlorophenyl chloroformate

Conditions

Conditions	Yield
With antipyrine
With pyridine In dichloromethane at 0℃;

: 32315-10-9
bis(trichloromethyl) carbonate

: 106-48-9
4-chloro-phenol

: 7693-45-0
4-Chlorophenyl chloroformate

Conditions

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;

: 106-48-9
4-chloro-phenol

: 7693-45-0
4-Chlorophenyl chloroformate

Conditions

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

: 106-48-9
4-chloro-phenol

: 503-38-8
trichloromethyl chloroformate

: 7693-45-0
4-Chlorophenyl chloroformate

Conditions

Conditions	Yield
With dmap In toluene at 20℃; for 24h;

: (2-fluoro-4-methoxyphenyl)hydrazine

: 7693-45-0
4-Chlorophenyl chloroformate

: 1169939-59-6
4-chlorophenyl 2-(2-fluoro-4-methoxyphenyl)hydrazinecarboxylate

Conditions

Conditions	Yield
With pyridine In 1-methyl-pyrrolidin-2-one at 0 - 20℃; for 1.5h;	100%

: 7693-45-0
4-Chlorophenyl chloroformate

: 30516-87-1
3'-azido-2',3'-deoxythymidine

: 1355331-53-1
C17H16ClN5O6

Conditions

Conditions	Yield
With pyridine	100%

: 7693-45-0
4-Chlorophenyl chloroformate

: 400899-68-5
C2HF3O2*C13H23NO3S

: 400899-69-6
C20H26ClNO5S

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 0.75h; Inert atmosphere;	100%

: 7693-45-0
4-Chlorophenyl chloroformate

: 618-87-1
3, 5-dinitroaniline

: 4-chlorophenyl 3,5-dinitrophenylcarbamate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	99%

: 7693-45-0
4-Chlorophenyl chloroformate

: 100-65-2
N-Phenylhydroxylamine

: 4645-77-6
N-hydroxy-N-phenylcarbamate 4-chlorophenyl ester

Conditions

Conditions	Yield
With potassium carbonate In diethyl ether; water at 4℃;	98%
With potassium carbonate In diethyl ether; water at 0 - 20℃; for 1.5h;	91%

: trans-4-methylaminomethyl-cyclohexanecarboxylic acid hydrochloride

: 7693-45-0
4-Chlorophenyl chloroformate

: trans-4-{[(4-chloro-phenoxy-carbonyl)-methyl-amino]-methyl}-cyclohexanecarboxylic acid

Conditions

Conditions	Yield
Stage #1: trans-4-methylaminomethyl-cyclohexanecarboxylic acid hydrochloride With 1,1,1,3,3,3-hexamethyl-disilazane at 140℃; for 2.5h; Heating / reflux; Stage #2: 4-Chlorophenyl chloroformate In tetrahydrofuran at 0 - 20℃;	98%
Stage #1: trans-4-methylaminomethyl-cyclohexanecarboxylic acid hydrochloride With 1,1,1,3,3,3-hexamethyl-disilazane at 140℃; for 2.5h; Stage #2: 4-Chlorophenyl chloroformate In tetrahydrofuran at 0 - 20℃;	98%

: 7693-45-0
4-Chlorophenyl chloroformate

: C30H33N9O6

: C72H51Cl6N9O18

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	97.8%

: 7693-45-0
4-Chlorophenyl chloroformate

: C78H81N21O18

: C162H117Cl12N21O42

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	97.8%

: 7693-45-0
4-Chlorophenyl chloroformate

: 331281-71-1
Methyl 3,4-di-O-benzyl-2-O-para-chlorophenylcarbonyl-6-O-triisopropylsilyl-β-D-glucopyranoside

: 331281-69-7
Methyl 3,4-di-O-benzyl-2-O-para-chlorophenylcarbonyl-6-O-triisopropylsilyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 1h;	96%

: 7693-45-0
4-Chlorophenyl chloroformate

: 4229-44-1
N-methylhydroxyamine hydrochloride

: 13649-16-6
N-hydroxy-N-methylcarbamate 4-chlorophenyl ester

Conditions

Conditions	Yield
With potassium carbonate In diethyl ether; water	96%
With potassium carbonate In diethyl ether at 20℃; for 5h;	55%

: 7693-45-0
4-Chlorophenyl chloroformate

: 4229-44-1
N-methylhydroxyamine hydrochloride

: 584-08-7
potassium carbonate

A 4-chlorophenyl ester: 4-chlorophenyl ester

B: 13649-16-6
N-hydroxy-N-methylcarbamate 4-chlorophenyl ester

Conditions

Conditions	Yield
In hexane; Dimethyl ether; water	A 96% B n/a

...Expand

: 7693-45-0
4-Chlorophenyl chloroformate

: 1571914-67-4
C32H50O9

: C39H53ClO11

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; Inert atmosphere;	96%

: 7693-45-0
4-Chlorophenyl chloroformate

: 762-72-1
allyl-trimethyl-silane

: 121077-72-3
But-3-enoic acid 4-chloro-phenyl ester

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane for 0.5h; Ambient temperature;	95%

: 7693-45-0
4-Chlorophenyl chloroformate

: 331281-66-4
Methyl 2-O-allyl-3,4-di-O-benzyl-β-D-glucopyranoside

: 331281-62-0
Methyl 2-O-allyl-3,4-di-O-benzyl-6-O-para-chlorophenylcarbonyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 1h;	95%

: 7693-45-0
4-Chlorophenyl chloroformate

: 1332523-83-7
(Z)-3-{3,4,5-trimethoxy-2-[2-(trifluoroacetylamino)ethyl]-phenyl}prop-2-enol

: 1332523-92-8
4-chlorophenyl (Z)-3-{3,4,5-trimethoxy-2-[2-(trifluoroacetylamino)ethyl]phenyl}prop-2-enyl carbonate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 3h; Inert atmosphere;	94%

: 7693-45-0
4-Chlorophenyl chloroformate

: C63H60N3O6P3*3ClH

: 1083072-42-7
C30H24Cl3N3O12

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere; Cooling with ice;	93%

: 7693-45-0
4-Chlorophenyl chloroformate

: 331281-76-6
methyl 3,4-di-O-benzyl-2-O-levulinoyl-β-D-glucopyranoside

: Methyl 3,4-di-O-benzyl-6-O-para-chlorophenylcarbonyl-2-O-levulinyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 1h;	91%

: 7693-45-0
4-Chlorophenyl chloroformate

: 4-fluoro-N-(indolin-6-yl)benzamide

: 4-chlorophenyl 6-(4-fluorobenzamido)indoline-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 60℃; under 750.075 Torr;	91%

: 7693-45-0
4-Chlorophenyl chloroformate

: 122-52-1
triethyl phosphite

: 72305-96-5
diethyl 4-chlorophenoxycarbonylphosphonate

Conditions

Conditions	Yield
	90%

: 7693-45-0
4-Chlorophenyl chloroformate

: 180187-58-0
ethyl 3,4,6-tri-O-benzyl-1-thio-β-D-glucopyranoside

: 331281-74-4
Thioethyl 3,4,6-tri-O-benzyl-2-O-para-chlorophenylcarbonyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 1h;	90%

: 7693-45-0
4-Chlorophenyl chloroformate

: 331281-67-5
Methyl 3,4-di-O-benzyl-2-O-para-methoxybenzyl-β-D-glucopyranoside

: 331281-63-1
Methyl 3,4-di-O-benzyl-2-O-para-methoxybenzyl-6-O-para-chlorophenylcarbonyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 1h;	90%

: trans-4-(methylamino)cyclohexanecarboxylic acid methyl ester hydrochloride

: 7693-45-0
4-Chlorophenyl chloroformate

: trans-4-[(4-chloro-phenoxycarbonyl)-methyl-amino]-cyclohexane-carboxylic acid methyl ester

Conditions

Conditions	Yield
In pyridine at 0 - 20℃; for 22h;	90%

: 928-95-0
(E)-2-Hexen-1-ol

: 7693-45-0
4-Chlorophenyl chloroformate

: 1419028-40-2
trans-hex-2-enyl 4-chlorophenyl carbonate

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; triethylamine In dichloromethane at 0 - 20℃; for 0.5h;	90%

: 7693-45-0
4-Chlorophenyl chloroformate

: (1R,4aS,8aR)-1-((benzyloxy)methyl)octahydro-1H-pyrano[3,4-c]pyridin-7-ium chloride

: 4-chlorophenyl (1R,4aS,8aR)-1-((benzyloxy)methyl)hexahydro-1H-pyrano[3,4-c]pyridine-7(3H)-carboxylate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 3h; Inert atmosphere;	89%

: 7693-45-0
4-Chlorophenyl chloroformate

: 50-89-5
thymidine

: 259672-39-4
Carbonic acid 4-chloro-phenyl ester (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester

Conditions

Conditions	Yield
With pyridine	88.3%

: 7693-45-0
4-Chlorophenyl chloroformate

: 35039-53-3
2-<(methylamino)methyl>-4-nitrophenol

: 4-chlorophenyl N-(5-nitro-2-hydroxybenzyl)carbamate

Conditions

Conditions	Yield
With TEA In diethyl ether at 10 - 20℃; for 0.833333h;	88%

: 7693-45-0
4-Chlorophenyl chloroformate

: 104-54-1
3-Phenylpropenol

: cinnamyl 4-chlorophenyl carbonate

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; triethylamine In dichloromethane at 0 - 20℃; for 0.5h;	88%

: 7693-45-0
4-Chlorophenyl chloroformate

: 97480-93-8
1-(4-phenylbutyl)-piperazine

: 549510-70-5
4-(4-Phenylbutyl)piperazine-1-carboxylic acid 4-chlorophenyl ester

Conditions

Conditions	Yield
	86%

: 932-22-9
4,5-dichloro-2H-pyridazin-3-one

: 7693-45-0
4-Chlorophenyl chloroformate

: 4-chlorophenyl 4,5-dichloro-6-oxopyridazine-1(6H)-carboxylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 5℃; for 0.166667h;	86%

: 7693-45-0
4-Chlorophenyl chloroformate

: 294637-56-2
methyl 2-O-benzoyl-3,4-di-O-benzyl-β-D-glucopyranoside

: Methyl 2-O-benzoyl-3,4-di-O-benzyl-6-O-para-chlorophenylcarbonyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 1h;	85%

Carbonochloridic acid,4-chlorophenyl ester Specification

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

Product Name

4-CHLOROPHENYL CHLOROFORMATE

Synthetic route

Carbonochloridic acid,4-chlorophenyl ester Specification

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