Benzene,1,3-di(methyl-d3)-2-nitro- (9CI) supplier

Name
2,6-DIMETHYL-D6-NITROBENZENE
EINECS
CAS No. 285138-83-2
Density 1.174 g/cm³
Solubility
Melting Point 14-16 °C(lit.)
Formula C₈H₃D₆NO₂
Boiling Point 224.4 °C at 760 mmHg
Molecular Weight 157.2
Flash Point 87.8 °C
Transport Information
Appearance
Safety 61
Risk Codes 51/53
Molecular Structure
Hazard Symbols N
Synonyms C₈H₃D₆NO₂;benzene, 1,3-di(methyl-d₃)-2-nitro-;
PSA 45.82000
LogP 2.73480

Benzene,1,3-di(methyl-d3)-2-nitro- (9CI) Specification

The Benzene,1,3-di(methyl-d3)-2-nitro- (9CI), with the CAS registry number 285138-83-2, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₃D₆NO₂.

The characteristics of Benzene,1,3-di(methyl-d3)-2-nitro- (9CI) are as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.13; (6)ACD/BCF (pH 7.4): 89.13; (7)ACD/KOC (pH 5.5): 865.86; (8)ACD/KOC (pH 7.4): 865.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 42.44 cm³; (15)Molar Volume: 133.8 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 87.8 °C; (20)Enthalpy of Vaporization: 44.22 kJ/mol; (21)Boiling Point: 224.4 °C at 760 mmHg; (22)Vapour Pressure: 0.136 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])([2H])c1cccc(c1[N+]([O-])=O)C([2H])([2H])[2H]
(2)InChI: InChI=1/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3/i1D3,2D3
(3)InChIKey: HDFQKJQEWGVKCQ-WFGJKAKNED

Product Name

2,6-DIMETHYL-D6-NITROBENZENE

Benzene,1,3-di(methyl-d3)-2-nitro- (9CI) Specification

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