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