Basic information
- Name:
Benzoic acid, 3-nitro-,sodium salt (1:1)
- Superlist Name:
- Sodium 3-nitrobenzoate
- CAS No.:
827-95-2
- Molecular Structure:
- Formula:
- C7H5NO4.Na
- Molecular Weight:
- 189.11
- Synonyms:
- Benzoicacid, 3-nitro-, sodium salt (9CI);Benzoic acid, m-nitro-, sodium salt (8CI);Sodium m-nitrobenzoate;
- EINECS:
- 212-578-3
- Melting Point:
- >300 °C
- Boiling Point:
- 340.7 °C at 760 mmHg
- Flash Point:
- 157.5 °C
- Appearance:
- yellowish crystalline powder
- Hazard Symbols:
F,
Xi- Risk Codes:
- 11-36/37/38-22
- Safety Description:
- 16-26-36-36/37-22 Details
- Transport Information:
- UN 1325 4.1/PG 2
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The Benzoic acid, 3-nitro-,sodium salt (1:1), with the CAS register number 827-95-2, is also called as 3-nitro-benzoicacisodiumsalt; 3-nitrobenzoic acid sodium salt; sodium m-nitrobenzoate; sodium 3-nitrobenzoate; sodium 3-nitrobenzoate trihydrate; m-nitrobenzoic acid sodium salt; sodium 3-nitrobenzoate hydrate; m-nitrobenzoic acid sodium.
The physical characteristics could be summarized as: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 83.12; (12)Flash Point: 157.5 °C; (13)Enthalpy of Vaporization: 61.67 kJ/mol; (14)Boiling Point: 340.7 °C at 760 mmHg; (15)Vapour Pressure: 3.26E-05 mmHg at 25°C.
This is a kind of off-white to yellow crystalline. As to its product categories, there are various, including acids, amides, anilides, anhydrides & salts, and aromatic carboxylic. This chemical is usually applied in organic synthesis intermediates.
This is irritating to eyes, respiratory system and skin and may even cause inflammation to the skin or other mucous membranes. And it is harmful if swallowed. Besides, it is highly flammable, for it may catch fire in contact with air, only needing brief contact with an ignition source and it has a very low flash point or evolve highly flammable gases in contact with water. So while dealing with this chemical, you should follow the instructions below. Do not breathe dust and wear suitable protective clothing and gloves while dealing with it. Besides, keep away from sources of ignition - No smoking, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you need more safety information, you could refer to the WGK Germany 3.
In addition, you could refer to the following data information to get the molecular structure:
SMILES:[Na+].O=[N+]([O-])c1cc(C([O-])=O)ccc1
InChI:InChI=1/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey:MUADFEZFSKAZLT-REWHXWOFAY
