CAS No.1885-14-9,Phenyl chloroformate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1885-14-9
Name:	Phenyl chloroformate
Article Data:	79

Formula:	C₇H₅ClO₂
Molecular Weight:	156.569
Synonyms:	Phenoxycarbonyl chloride;Formic acid, chloro-, phenyl ester;4-06-00-00629 (Beilstein Handbook Reference);Fenylester kyseliny chlormravenci [Czech];Fenylester kyseliny chlormravenci;Formic acid, chloro-, phenyl ester (8CI);carbonochloridic acid, phenyl ester;
EINECS:	217-547-8
Density:	1.283 g/cm³
Melting Point:	-28 °C
Boiling Point:	186.5 °C at 760 mmHg
Flash Point:	79 °C
Solubility:	hydrolysis in water
Appearance:	colorless liquid with a strong odor
Hazard Symbols:	T+
Risk Codes:	22-26-34-41-38-29
Safety:	26-28-36/37/39-45-28A
Transport Information:	UN 2746 6.1/PG 2
PSA:	26.30000
LogP:	2.42420

Synthetic route

: 32315-10-9
bis(trichloromethyl) carbonate

: 108-95-2
phenol

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 2h;	99%
With sodium hydroxide In dichloromethane at 20℃; for 2h;	88.4%
Stage #1: bis(trichloromethyl) carbonate With sodium carbonate; N,N-dimethyl-formamide In toluene at 0℃; for 0.5h; Stage #2: phenol In toluene at 0℃; for 8.5h;	66%

: 108-95-2
phenol

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
With CoCl2 In triphenylphosphine	91.5%
With water Behandeln mit Phosgen und Trichloraethylen;

: 75-44-5
phosgene

: N-methyl-stearylformamide

: 124-38-9
carbon dioxide

: 108-95-2
phenol

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
	91%

...Expand

: 75-44-5
phosgene

: 108-95-2
phenol

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃; Temperature;	89.4%
With sodium hydroxide; water; toluene at 30℃; bis:>40 degreeC.;
With N,N-dimethyl-aniline; benzene

: 851443-09-9
5-tert-Butoxycarbonylamino-3-methyl-thiophene-2-carboxylic acid ethyl ester

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
Stage #1: 5-tert-Butoxycarbonylamino-3-methyl-thiophene-2-carboxylic acid ethyl ester With trifluoroacetic acid In dichloromethane at 0℃; for 2h; Stage #2: With sodium hydroxide; water In ethyl acetate Product distribution / selectivity;	89%

: 13509-28-9
S-methyl O-phenyl carbonothioate

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
With sulfuryl dichloride at 20℃; for 1h;	78%

: 75-44-5
phosgene

: 139-02-6
sodium phenoxide

: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
at 30℃;
With toluene

: 75-44-5
phosgene

: 60-80-0
antipyrine

: 108-95-2
phenol

: 1885-14-9
phenyl chloroformate

...Expand

: 861340-55-8
carbonic acid phenyl ester-trichloromethyl ester

A: 75-44-5
phosgene

B: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
at 180 - 210℃;

: 75-44-5
phosgene

: 108-95-2
phenol

A: 102-09-0
bis(phenyl) carbonate

B: 1885-14-9
phenyl chloroformate

Conditions

Conditions	Yield
at 140 - 150℃; im geschlossenen Rohr;
at 140 - 150℃;

...Expand

Raw Materials

60-80-0

108-95-2

32315-10-9

503-38-8

10444-89-0

456-55-3

7732-18-5

139-02-6

Downstream Products

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 6.1; Label: Poison, Corrosive

Specification

The Phenyl chlorocarbonate, with the CAS registry number 1885-14-9 and EINECS registry number 217-547-8, has the systematic name of phenyl carbonochloridate. And the molecular formula of this chemical is C₁₆H₃₆ClN. It is a kind of clear liquid with a strong odor, and belongs to the following product categories: Miscellaneous; Organics; Chloroformates. In addition, it is sensitive to moisture, and should be stored in the refrigerator. Besides, it is used as reagents for organic synthesis.

The physical properties of Phenyl chlorocarbonate are as following: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.02; (6)ACD/BCF (pH 7.4): 62.02; (7)ACD/KOC (pH 5.5): 667.87; (8)ACD/KOC (pH 7.4): 667.87; (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: 1.532; (14)Molar Refractivity: 37.81 cm³; (15)Molar Volume: 121.9 cm³; (16)Polarizability: 14.98×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 79 °C; (20)Enthalpy of Vaporization: 42.28 kJ/mol; (21)Boiling Point: 186.5 °C at 760 mmHg; (22)Vapour Pressure: 0.66 mmHg at 25°C.

Preparation of Phenyl chlorocarbonate: It can be prepared by phenol and phosgene. Dissolve phenol in chloroform, and then pass phosgene. Dilute with water after addition of equimolar N,N-Dimethylaniline. Wash the oil layer with diluted hydrochloric acid and water, and then dry with anhydrous calcium chloride. Heat to get rid of chloroform, and collect the distillate in 74-75°C(1.73kPa) after reduced pressure distillation. The distillate is the product you desired. And the yield is 90%.

Uses of Phenyl chlorocarbonate: It can react with phenylhydrazine to produce 3-phenyl-carbazic acid phenyl ester. This reaction will need solvents diethyl ether and tetrahydrofuran. The reaction time is 0.5 hours with heating, and the yield is about 32%.

Phenyl chlorocarbonate can react with phenylhydrazine to produce 3-phenyl-carbazic acid phenyl ester

You should be cautious while dealing with this chemical. If contact with water, it will liberate toxic gas. It irritates skin, and has risk of serious damage to eyes. It is very toxic by inhalation, and may also cause burns. In addition, it is harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and 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).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)Oc1ccccc1
(2)InChI: InChI=1/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
(3)InChIKey: AHWALFGBDFAJAI-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LC	inhalation	> 800mg/m³/10M (800mg/m³)	National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. Dec, 1942.
rabbit	LD50	skin	3970uL/kg (3.97mL/kg)	American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LCLo	inhalation	44ppm/4H (44ppm)	American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LD50	oral	1410uL/kg (1.41mL/kg)	American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.