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3652-86-6

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Basic Information
CAS No.: 3652-86-6
Name: CHLOROETHANE-1,1-D2
Article Data: 5
Molecular Structure:
Molecular Structure of 3652-86-6 (CHLOROETHANE-1,1-D2)
Formula: C2H3ClD2
Molecular Weight: 66.4988
Synonyms: 1-Chloroethane-1,1-d2;
Density: 0.912 g/cm3
Boiling Point: 12.7 °C at 760 mmHg
Flash Point: -50 °C
Hazard Symbols: HighlyF+HarmfulXn
Risk Codes: 12-40-52/53
Safety: 9-16-33-36/37-61
Transport Information: UN 1037 2.1
PSA: 0.00000
LogP: 1.24510
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Specification

The CAS register number of Chloroethane-1,1-D2 is 3652-86-6. It also can be called as Ethane-1,1-d2,1-chloro- (7CI,8CI,9CI) and the systematic name about this chemical is chloro(1,1-2H2)ethane.

Physical properties about Chloroethane-1,1-D2 are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.14; (5)ACD/BCF (pH 7.4): 8.14; (6)ACD/KOC (pH 5.5): 156.06; (7)ACD/KOC (pH 7.4): 156.06; (8)Index of Refraction: 1.361; (9)Molar Refractivity: 16.16 cm3; (10)Molar Volume: 72.9 cm3; (11)Polarizability: 6.4x10-24cm3; (12)Surface Tension: 17.9 dyne/cm; (13)Enthalpy of Vaporization: 24.97 kJ/mol; (14)Boiling Point: 12.7 °C at 760 mmHg; (15)Vapour Pressure: 1170 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable and it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable protective clothing and gloves, you should keep away from sources of ignition and take precautionary measures against static discharges, and also you need keep container in a well-ventilated place. In addition, please avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC([2H])([2H])C
(2)InChI: InChI=1/C2H5Cl/c1-2-3/h2H2,1H3/i2D2
(3)InChIKey: HRYZWHHZPQKTII-CBTSVUPCEL
(4)Std. InChI: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3/i2D2
(5)Std. InChIKey: HRYZWHHZPQKTII-CBTSVUPCSA-N