Name | 3-Methyl-4-nitrobenzoic acid |
Synonyms | RARECHEM AL BO 0346 Methyl-4-nitrobenzoic 4-Nitro-m-toluic acid m-Toluic acid, 4-nitro- 3-methyl-4-nitrobenzoate 3-methyl-4-nitro-benzoicaci 3-Methyl-4-nitrobenzoic acid m-Methyl-p-Nitrobenzoic acid 4-NITRO-3-METHYLBENZOIC ACID 4-Nitro-3-Methyl benzoic acid 3-Methyl-4-nitronbenzoic acid 3-Methy-4-nitrobenzoatic Acid Benzoic acid, 3-methyl-4-nitro- 3-METHYL-4-NITROBENZOIC ACID FOR SYNTHES 5-Carboxy-2-nitrotoluene, 4-Nitro-m-toluic acid |
CAS | 3113-71-1 |
EINECS | 221-479-4 |
InChI | InChI=1/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)/p-1 |
InChIKey | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |
Molar Mass | 181.15 |
Density | 1.4283 (rough estimate) |
Melting Point | 216-218 °C (lit.) |
Boling Point | 314.24°C (rough estimate) |
Flash Point | 161.2°C |
Water Solubility | <0.1 g/100 mL at 22 ºC |
Solubility | slightly sol. in Alcohol |
Vapor Presure | 1.1E-05mmHg at 25°C |
Appearance | Amorphous Powder |
Color | Yellow |
BRN | 1959154 |
pKa | 3.49±0.10(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.5468 (estimate) |
MDL | MFCD00007168 |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S22 - Do not breathe dust. |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29163900 |
Hazard Note | Irritant |