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Benzene-1,2,3,4,5-d5

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Name

Benzene-1,2,3,4,5-d5

EINECS N/A
CAS No. 13657-09-5 Density 0.929 g/cm3
PSA 0.00000 LogP 1.68660
Solubility N/A Melting Point 5.5 °C(lit.)
Formula C6HD5 Boiling Point 78.8 °C at 760 mmHg
Molecular Weight 83.0739 Flash Point 12 °F
Transport Information N/A Appearance N/A
Safety 53-45-62-26 Risk Codes 45-46-11-36/38-48/23/24/25-65
Molecular Structure Molecular Structure of 13657-09-5 (BENZENE-D5) Hazard Symbols FlammableF, ToxicT
Synonyms

Benzene-d5(6CI,7CI,8CI,9CI);Pentadeuteriobenzene;Pentadeuterobenzene;

Article Data 12

Benzene-1,2,3,4,5-d5 Specification

The Benzene-1,2,3,4,5-d5 is an organic compound with the formula C6HD5. The systematic name of this chemical is (1,2,3,4,5-2H5)Benzene. With the CAS registry number 13657-09-5, it is also named as Benzene-d5. The product's categories are Alphabetical Listings; B; Stable Isotopes. Besides, its molecular weight is 83.14.

Physical properties about Benzene-1,2,3,4,5-d5 are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.22; (4)ACD/BCF (pH 5.5): 28.57; (5)ACD/BCF (pH 7.4): 28.57; (6)ACD/KOC (pH 5.5): 383.48; (7)ACD/KOC (pH 7.4): 383.48; (8)Index of Refraction: 1.498; (9)Molar Refractivity: 26.25 cm3; (10)Molar Volume: 89.4 cm3; (11)Polarizability: 10.4×10-24 cm3; (12)Surface Tension: 28.8 dyne/cm; (13)Density: 0.929 g/cm3; (14)Enthalpy of Vaporization: 30.72 kJ/mol; (15)Boiling Point: 78.8 °C at 760 mmHg; (16)Vapour Pressure: 101 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It may cause cancer and heritable genetic damage. It is highly flammable and irritating to eyes and skin. It also may cause lung damage if swallowed. Besides, this chemical is danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed. When you are using it, avoid exposure - obtain special instruction before use. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1cc([2H])c([2H])c([2H])c1[2H]
(2)InChI: InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D
(3)InChIKey: UHOVQNZJYSORNB-RALIUCGREE
(4)Std. InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D
(5)Std. InChIKey: UHOVQNZJYSORNB-RALIUCGRSA-N

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