Benzoic acid,4-methyl-2-nitro- supplier

Name
4-METHYL-2-NITROBENZOIC ACID 97
EINECS
CAS No. 27329-27-7
Article Data13
CAS DataBase
Density 1.392 g/cm³
Solubility
Melting Point 160-164 °C(lit.)
Formula C₈H₇NO₄
Boiling Point 367.6 °C at 760 mmHg
Molecular Weight 181.148
Flash Point 166.8 °C
Transport Information
Appearance
Safety 37/39
Risk Codes 22-43
Molecular Structure
Hazard Symbols Xn
Synonyms p-Toluicacid, 2-nitro- (6CI,7CI);2-Nitro-4-methylbenzoic acid;2-Nitro-p-toluic acid;4-Methyl-2-nitrobenzoic acid;NSC 80180;
PSA 83.12000
LogP 2.12460

Benzoic acid,4-methyl-2-nitro- Specification

The Benzoic acid,4-methyl-2-nitro-, with the CAS registry number 27329-27-7, is also known as 2-Nitro-4-methylbenzoic acid. This chemical's molecular formula is C₈H₇NO₄ and molecular weight is 181.15. What's more, its systematic name is 4-Methyl-2-nitrobenzoic acid and it belongs to the product categories of C₈; Carbonyl Compounds; Carboxylic Acids. The product should be sealed and stored in cool and dry places. It is harmful if swallowed and it may cause sensitisation by skin contact. When using it, you need wear suitable gloves and eye/face protection.

Physical properties of Benzoic acid,4-methyl-2-nitro- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.12 Å²; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 44.55 cm³; (13)Molar Volume: 130 cm³; (14)Polarizability: 17.66×10^-24cm³; (15)Surface Tension: 60.3 dyne/cm; (16)Density: 1.392 g/cm³; (17)Flash Point: 166.8 °C; (18)Enthalpy of Vaporization: 64.8 kJ/mol; (19)Boiling Point: 367.6 °C at 760 mmHg; (20)Vapour Pressure: 4.72E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(ccc(c1)C)C(=O)O
(2)InChI: InChI=1/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
(3)InChIKey: KZLLSSGOPIGKDO-UHFFFAOYSA-N

Product Name

4-METHYL-2-NITROBENZOIC ACID 97

Benzoic acid,4-methyl-2-nitro- Specification

Related Products

Hot Products