-
Name
Ethyl dichlorocarbamate
- EINECS
- CAS No. 13698-16-3
- Article Data13
- CAS DataBase
- Density 1.416 g/cm3
- Solubility Insoluble in water
- Melting Point
-
Formula
C
- Boiling Point 159 °C at 760 mmHg
- Molecular Weight 157.984
- Flash Point 96.7 °C
- Transport Information UN 2810
- Appearance yellow Clear liquid
- Safety 26-36/37/39
- Risk Codes 20/21/22-36/37/38-40
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms N,N-Dichlorourethane;ETHYL DICHLOROCARBAMATE;13698-16-3;N,N-Dichlorourethan;ethyl N,N-dichlorocarbamate;Carbamic acid, dichloro-, ethyl ester;Carbamic acid, N,N-dichloro-, ethyl ester;dichlorourethane;Ethyl dichlorocarbamate #;SCHEMBL1041195;DTXSID00160017;BBL103250;MFCD00000523;NSC211534;STL557060;N,N-Dichlorocarbamic acid ethyl ester;AKOS005258352;NSC 211534;NSC-211534;FT-0629451;N,N-Dichlorourethane, technical grade, 90%;A886585;J-006944
- PSA 29.54000
- LogP 1.75250
N,N-Dichlorourethane Specification
The CAS register number of N,N-Dichlorourethane is 13698-16-3. It also can be called as Carbamic acid, N,N-dichloro-, ethyl ester and the systematic name about this chemical is ethyl N,N-dichlorocarbamate. It is used as intermediates in organic synthesis.
Physical properties about N,N-Dichlorourethaner are: (1)ACD/LogP: 2.23 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.23 ; (4)ACD/LogD (pH 7.4): 2.23 ; (5)ACD/BCF (pH 5.5): 29.27; (6)ACD/BCF (pH 7.4): 29.27; (7)ACD/KOC (pH 5.5): 390.22; (8)ACD/KOC (pH 7.4): 390.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 31.14 cm3; (15)Molar Volume: 111.5 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.416 g/cm3; (18)Flash Point: 96.7 °C; (19)Enthalpy of Vaporization: 39.57 kJ/mol; (20)Boiling Point: 159 °C at 760 mmHg; (21)Vapour Pressure: 2.55 mmHg at 25°C.
Uses of N,N-Dichlorourethane: It reacts with butoxyethene to get C9H17Cl2NO3. This reaction needs solvent benzene. The yield is 95.9 %.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed and irritating to eyes, respiratory system and skin. Limited evidence of a carcinogenic effect. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1.SMILES: ClN(Cl)C(=O)OCC
2.InChI: InChI=1/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3
3.InChIKey: PCGGNOFZZFFFLU-UHFFFAOYAC
4.Std. InChI: InChI=1S/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3
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