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Name |
3,5-Dimethyl-4-nitrobenzoic acid |
EINECS | N/A | ||||
CAS No. | 3095-38-3 | Density | 1.333g/cm3 | ||||
PSA | 83.12000 | LogP | 2.43300 | ||||
Solubility | Insoluble in water. | Melting Point |
221-223°C |
||||
Formula | C9H9 N O4 | Boiling Point | 356.5°Cat760mmHg | ||||
Molecular Weight | 195.175 | Flash Point | 157.9°C | ||||
Transport Information | N/A | Appearance | N/A | ||||
Safety |
|
Risk Codes | 36/37/38 | ||||
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |||||
Synonyms |
3,5-Dimethyl-4-nitrobenzoicacid; 4-Nitro-3,5-dimethylbenzoic acid; NSC 67705 |
Article Data | 19 |
Molecule structure of 3,5-Dimethyl-4-nitrobenzoic acid (CAS NO.3095-38-3):
IUPAC Name: 3,5-Dimethyl-4-nitrobenzoic acid
Molecular Weight: 195.17206 [g/mol]
Molecular Formula: C9H9NO4
Index of Refraction: 1.59
Molar Refractivity: 49.378 cm3
Molar Volume: 146.355 cm3
Surface Tension: 55.894 dyne/cm
Density: 1.334 g/cm3
Flash Point: 157.908 °C
Enthalpy of Vaporization: 63.503 kJ/mol
Boiling Point: 356.545 °C at 760 mmHg
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 195.053158
MonoIsotopic Mass: 195.053158
Topological Polar Surface Area: 83.1
Heavy Atom Count: 14
Complexity: 236
Canonical SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)O
InChI: InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChIKey: RBAVFNOGEPCOQI-UHFFFAOYSA-N
Product Categories of 3,5-Dimethyl-4-nitrobenzoic acid (CAS NO.3095-38-3): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
3,5-Dimethyl-4-nitrobenzoic acid (CAS NO.3095-38-3) is also named as Benzoic acid,3,5-dimethyl-4-nitro- ; 3,5-Dimethyl-4-nitrobenzoicacid ; 4-Nitro-3,5-dimethylbenzoic acid ; NSC 67705 .