4-Nitrotoluene-α,α,α-D3 supplier

Name
4-NITROTOLUENE-A,A,A-D3
EINECS
CAS No. 23346-24-9
Density 1.192 g/cm³
Solubility
Melting Point
Formula C₇H₄D₃NO₂
Boiling Point 238 °C at 760 mmHg
Molecular Weight 140.154465334
Flash Point 106.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-methyl-4-nitro-benzene;4-Nitrotoluene-alpha,alpha,alpha-D3;
PSA 45.82000
LogP 2.42640

4-Nitrotoluene-α,α,α-D3 Specification

The CAS register number of 4-Nitrotoluene-α,α,α-D3 is 23346-24-9. The systematic name about this chemical is 1-(2H3)methyl-4-nitrobenzene. The molecular formula about this chemical is C₇H₄D₃NO₂ and the molecular weight is 140.154465334.

Physical properties about 4-Nitrotoluene-α,α,α-D3 are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 39.85; (5)ACD/BCF (pH 7.4): 39.85; (6)ACD/KOC (pH 5.5): 486.59; (7)ACD/KOC (pH 7.4): 486.59; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å²; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 37.62 cm³; (13)Molar Volume: 117.5 cm³; (14)Polarizability: 14.91x10^-24cm³; (15)Surface Tension: 42.6 dyne/cm; (16)Density: 1.192 g/cm³; (17)Flash Point: 106.1 °C; (18)Enthalpy of Vaporization: 45.56 kJ/mol; (19)Boiling Point: 238 °C at 760 mmHg; (20)Vapour Pressure: 0.0669 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])c1ccc([N+]([O-])=O)cc1
(2)InChI: InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3/i1D3
(3)InChIKey: ZPTVNYMJQHSSEA-FIBGUPNXER
(4)Std. InChI: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3/i1D3
(5)Std. InChIKey: ZPTVNYMJQHSSEA-FIBGUPNXSA-N

Product Name

4-NITROTOLUENE-A,A,A-D3

4-Nitrotoluene-α,α,α-D3 Specification

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