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2-Nitrobenzoic Acid ( CASNO:552-16-9 )
Identification and Related Records
- 2-Nitrobenzoic Acid
- CAS Registry number:
- Benzoicacid, o-nitro- (8CI)
- Molecular Formula:
- Molecular Weight:
- Canonical SMILES:
Chemical and Physical Properties
- off-white powder
- Melting Point:
- Boiling Point:
- Flash Point:
- 6.8 g/L
- 6.8 g/L
- Stable. Incompatible with strong oxidizing agents, strong bases.
- HS Code:
- Storage temp:
- Store at RT.
- Computed Properties:
- Molecular Weight:167.1189 [g/mol]
Rotatable Bond Count:1
Topological Polar Surface Area:83.1
Heavy Atom Count:12
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:1
Safety and Handling
- Hazard Codes:
- Risk Statements:
- Safety Statements:
- Hazard Codes: Xi, Xn
Risk Statements: 36/37/38-68-22
R36/37/38: Irritating to eyes, respiratory system and skin
R68: Possible risk of irreversible effects
R22: Harmful if swallowed
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
HS Code: 29163900
- 2-Nitrobenzoic Acid (CAS NO.552-16-9) is also called AI3-08821 ; CCRIS 2334 ; o-Carboxynitrobenzene ; o-Nitrobenzoic acid ; Benzoic acid, 2-nitro- ; Benzoic acid, o-nitro- ; o-Nitrobenzoic acid . 2-Nitrobenzoic Acid (CAS NO.552-16-9) is soluble in ethanol, ethyl ether, acetone, methanol, soluble in water and chloroform, very slightly soluble in benzene and carbon disulfide. 2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides. When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes. Flash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible.
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