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Allyl chloroformate

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Name Allyl chloroformate EINECS 220-916-6
CAS No. 2937-50-0 Density 1.153 g/cm3
Solubility insoluble Melting Point 106 °C
Formula C4H5ClO2 Boiling Point 107.7 °C at 760 mmHg
Molecular Weight 120.54 Flash Point 25.5 °C
Transport Information UN 1722 6.1/PG 1 Appearance colorless liquid
Safety 26-28-36/37/39-45 Risk Codes 10-22-26-34
Molecular Structure Molecular Structure of 2937-50-0 (Allyl chloroformate) Hazard Symbols VeryT+
Synonyms

Carbonochloridicacid, 2-propenyl ester (9CI);Formic acid, chloro-, allyl ester (6CI,7CI,8CI);2-Propen-1-yl chloroformate;2-Propenyl chloroformate;Allyl carbonochloridate;Allyloxycarbonyl chloride;Chloroformic acid allyl ester;Carbonochloridicacid, 2-propen-1-yl ester;

 

Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  8; Label: Corrosive, Poison

Specification

Allyl chloroformate, with the CAS NO.2937-50-0,  is common organic reagent, the IUPAC Name of it is prop-2-enyl carbonochloridate. It also called ALLYL CHLOROFORMATE (ACF); Carbonochloridic acid, 2-propenyl ester;Alloc-Cl allyloxycarbonylchloride;prop-2-en-1-yl carbonochloridate;4-amino-1-(beta-D-arabinofuranosyl)-5-fluoropyrimidin-2(1H)-one. The product categories are Pharmaceutical Intermediates; Chloroformates; Amine ProtectionProtection and Derivatization; Peptide Synthesis; Protecting and Derivatizing Reagents; Specialty Synthesis.

Physical properties about Allyl chloroformate are: (1)ACD/LogP: 1.1; (2)ACD/LogD (pH 5.5): 1.10; (3)ACD/LogD (pH 7.4): 1.10; (4)ACD/BCF (pH 5.5): 4.04; (5)ACD/BCF (pH 7.4): 4.04; (6)ACD/KOC (pH 5.5):94.47; (7)ACD/KOC (pH 7.4): 94.47; (8)#H bond acceptors:2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.429; (11)Molar Refractivity: 26.93 cm3; (12)Molar Volume: 104.523 cm3; (13)Polarizability: 10.676 10-24cm3; (14)Surface Tension: 29.4400005340576 dyne/cm; (15)Density: 1.153 g/cm3; (16)Flash Point: 25.466 °C; (17)Enthalpy of Vaporization: 34.651 kJ/mol; (18)Boiling Point: 107.681 °C at 760 mmHg; (19)Vapour Pressure: 26.7859992980957 mmHg at 25°C

Uses of Allyl chloroformate: Allyl chloroformate is used as an intermediate in synthesis of numerous compounds chloroformic esters. It is a useful group protecting agent and organic synthesis reagent with the appearance of a colorless liquid with a pungent odor.

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
3. Wear suitable protective clothing, gloves and eye/face protection;
4. 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)InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2;
(2)InChIKey=CAEWJEXPFKNBQL-UHFFFAOYSA-N;
(3)SmilesO(C(=O)Cl)CC=C;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 23100ug/m3 (23.1mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.
mouse LD50 oral 210mg/kg (210mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.
rat LC50 inhalation 32400ug/m3 (32.4mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.
rat LD50 oral 244mg/kg (244mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.

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