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| CAS No.: | 3855-82-1 |
|---|---|
| Name: | 1,4-DICHLOROBENZENE-D4 |
| Molecular Structure: | |
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|
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| Formula: | C6Cl2D4 |
| Molecular Weight: | 150.972 |
| Synonyms: | Benzene-1,2,4,5-d4,dichloro- (6CI,7CI);1,4-Dichlorobenzene-d4;1,4-Dichloroperdeuteriobenzene;Tetradeutero-p-dichlorobenzene;p-Dichlorobenzene-d4; |
| Density: | 1.332 g/cm3 |
| Melting Point: | 52-54 °C(lit.) |
| Boiling Point: | 60.7 °C |
| Flash Point: | 174.1 °C at 760 mmHg |
| Hazard Symbols: |
 Xn, N, T, F
|
| Risk Codes: | 36-40-50/53-39/23/24/25-23/24/25-11 |
| Safety: | 36/37-46-60-61-45-24/25-23 |
| PSA: | 0.00000 |
| LogP: | 2.99340 |
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Specification
The Benzene-1,2,4,5-d4,3,6-dichloro- is an organic compound with the formula C6Cl2D4. The IUPAC name of this chemical is 1,4-dichloro-2,3,5,6-tetradeuteriobenzene. With the CAS registry number 3855-82-1, it is also named as 1,4-Dichlorobenzene-d4. The product's categories are Alpha Sort; D; DAlphabetic; DIA - DICPesticides; FumigantsPesticides & Metabolites; Insecticides; Labeled; Pesticides; Volatiles/Semivolatiles. Besides, it should be stored in a dark cool and well-ventilated place.
Physical properties about Benzene-1,2,4,5-d4,3,6-dichloro- are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 201.98; (5)ACD/BCF (pH 7.4): 201.98; (6)ACD/KOC (pH 5.5): 1555.05; (7)ACD/KOC (pH 7.4): 1555.05; (8)Index of Refraction: 1.548; (9)Molar Refractivity: 36.04 cm3; (10)Molar Volume: 113.3 cm3; (11)Polarizability: 14.28×10-24cm3; (12)Surface Tension: 36.7 dyne/cm; (13)Density: 1.332 g/cm3; (14)Flash Point: 60.7 °C; (15)Enthalpy of Vaporization: 39.36 kJ/mol; (16)Boiling Point: 174.1 °C at 760 mmHg; (17)Vapour Pressure: 1.64 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and toxic by inhalation, in contact with skin and if swallowed. If swallowed, seek medical advice immediately and show this container or label. Besides, this chemical is irritating to eyes and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It has limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(Cl)c([2H])c([2H])c(Cl)c1[2H]
(2)InChI: InChI=1/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D
(3)InChIKey: OCJBOOLMMGQPQU-RHQRLBAQES
(4)Std. InChI: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D
(5)Std. InChIKey: OCJBOOLMMGQPQU-RHQRLBAQSA-N