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| CAS No.: | 63403-57-6 |
|---|---|
| Name: | DICHLOROACETIC ACID-D2 |
| Molecular Structure: | |
|
|
|
| Formula: | C2Cl2D2O2 |
| Molecular Weight: | 130.95 |
| Synonyms: | Dichloroacetic-d acid-d;dichloroacetic acid-d2;Dichloroacetic-d acid-d, 98 atom % d; |
| Density: | 1.65 g/cm3 |
| Melting Point: | 9-11 °C(lit.) |
| Boiling Point: | 194 °C at 760 mmHg |
| Flash Point: | 75.6 °C |
| Hazard Symbols: |
 C， N
|
| Risk Codes: | 35-50 |
| Safety: | 26-36/37/39-45-61 |
| Transport Information: | UN 1764 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 0.87470 |
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Specification
The CAS register number of Acetic-dacid-d, dichloro- (9CI) is 63403-57-6. It also can be called as Dichloroacetic-d acid-d;dichloroacetic acid-d2 and the systematic name about this chemical is dichloro(~2~H_2_)acetic acid. The molecular formula about this chemical is C2Cl2D2O2 and the molecular weight is 130.95. It belongs to the following product categories which include DChemical Synthesis; Alphabetical Listings; Organic Acids; Stable Isotopes; Synthetic Reagents and so on.
Physical properties about Acetic-dacid-d, dichloro- (9CI) are: (1)ACD/LogP: 0.54; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.48; (11)Molar Refractivity: 22.53 cm3; (12)Molar Volume: 79.3 cm3; (13)Polarizability: 8.93x10-24cm3; (14)Surface Tension: 47 dyne/cm; (15)Density: 1.65 g/cm3; (16)Flash Point: 75.6 °C; (17)Enthalpy of Vaporization: 47.42 kJ/mol; (18)Boiling Point: 194 °C at 760 mmHg; (19)Vapour Pressure: 0.196 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause severe burns. It is very toxic to aquatic organisms. If you want to use this chemical, refer to special instructions / safety data sheets and wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) When you are using it, avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)([2H])C(=O)O[2H]
(2)InChI: InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i1D/hD
(3)InChIKey: JXTHNDFMNIQAHM-PFUFQJKNEB
(4)Std. InChI: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i1D/hD
(5)Std. InChIKey: JXTHNDFMNIQAHM-PFUFQJKNSA-N