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| CAS No.: | 6329-26-6 |
|---|---|
| Name: | ETHYL 2-CHLOROETHYLCARBAMATE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H10ClNO2 |
| Molecular Weight: | 151.593 |
| Synonyms: | Carbamicacid, (2-chloroethyl)-, ethyl ester (7CI,8CI,9CI);Ethyl2-chloroethylcarbamate;Ethyl N-(2-chloroethyl)carbamate;N-(2-Chloroethyl)urethane;N-2-Chloroethyl O-ethyl carbamate;NSC 43421;[2-Chloroethyl]carbamic acid ethyl ester; |
| EINECS: | 228-701-9 |
| Density: | 1.124 g/cm3 |
| Melting Point: | 76 °C |
| Boiling Point: | 225.9 °C at 760 mmHg |
| Flash Point: | 90.4 °C |
| PSA: | 38.33000 |
| LogP: | 1.36220 |
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- Total:28 Page 1 of 1 1
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Specification
The Ethyl 2-chloroethylcarbamate, with the CAS registry number 6329-26-6 and EINECS registry number 228-701-9, has the IUPAC name of ethyl N-(2-chloroethyl)carbamate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H10ClNO2.
The characteristics of Ethyl 2-chloroethylcarbamate are as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 3.01; (6)ACD/BCF (pH 7.4): 3.01; (7)ACD/KOC (pH 5.5): 76.59; (8)ACD/KOC (pH 7.4): 76.59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 35.43 cm3; (15)Molar Volume: 134.7 cm3; (16)Polarizability: 14.04×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.124 g/cm3; (19)Flash Point: 90.4 °C; (20)Enthalpy of Vaporization: 46.24 kJ/mol; (21)Boiling Point: 225.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0842 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCCNC(=O)OCC
(2)InChI: InChI=1/C5H10ClNO2/c1-2-9-5(8)7-4-3-6/h2-4H2,1H3,(H,7,8)
(3)InChIKey: QHSHDVYEJKLXLB-UHFFFAOYAU