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3095-38-3

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Basic Information
CAS No.: 3095-38-3
Name: 3,5-DIMETHYL-4-NITROBENZOIC ACID
Article Data: 19
Molecular Structure:
Molecular Structure of 3095-38-3 (3,5-DIMETHYL-4-NITROBENZOIC ACID)
Formula: C9H9 N O4
Molecular Weight: 195.175
Synonyms: 3,5-Dimethyl-4-nitrobenzoicacid; 4-Nitro-3,5-dimethylbenzoic acid; NSC 67705
Density: 1.333g/cm3
Melting Point: 221-223°C
Boiling Point: 356.5°Cat760mmHg
Flash Point: 157.9°C
Solubility: Insoluble in water.
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety:
Risk Statements 36/37/38
Safety Statements 26-36
PSA: 83.12000
LogP: 2.43300
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Chemistry

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

Safety Profile

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.

Specification

 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 .