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CAS No.: | 23876-15-5 |
---|---|
Name: | 2-Methyl-3-nitro-benzeneacetic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H9NO4 |
Molecular Weight: | 195.175 |
Synonyms: | 2-Methyl-3-nitrophenylacetic acid; |
Density: | 1.346 g/cm3 |
Melting Point: | 133-135 °C |
Boiling Point: | 377.643 °C at 760 mmHg |
Flash Point: | 168.053 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 83.12000 |
LogP: | 2.05350 |
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Molecular Structure of 2-Methyl-3-nitro-benzeneacetic acid (CAS NO.23876-15-5):
Systematic Name: (2-Methyl-3-nitrophenyl)acetic acid
Molecular Formula: C9H9NO4
Molecular Weight: 195.17
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.587
Molar Refractivity: 48.737 cm3
Molar Volume: 144.993 cm3
Surface Tension: 57.227 dyne/cm
Density: 1.346 g/cm3
Flash Point: 168.053 °C
Melting Point: 133-135 °C
Enthalpy of Vaporization: 65.977 kJ/mol
Boiling Point: 377.643 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: Cc1c(cccc1CC(O)=O)N(=O)=O
InChI: InChI=1/C9H9NO4/c1-6-7(5-9(11)12)3-2-4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChIKey: LWIOFILTAJJDLA-UHFFFAOYAH
Product Categories: Pharmaceutical material and intermeidates; Aromatic Phenylacetic Acids and Derivatives; Medicine intermediate; Organic acids; Miscellaneous
Safety Information of 2-Methyl-3-nitro-benzeneacetic acid (CAS NO.23876-15-5):
Hazard Codes: Xi
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.
Hazard Note Irritant
2-Methyl-3-nitro-benzeneacetic acid (CAS NO.23876-15-5), its Synonyms are 2-Methyl-3-nitrophenylacetic acid ; 2-Methyl-3-nitro phenylacetic acid ; 2-Methyl-3-nitrohenylacetic acid ; 2-Methyl-3-nitrophenyl acetic acid .