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Chemical Product CAS:552-16-92-Nitrobenzoic Acid

2-Nitrobenzoic Acid

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    2-Nitrobenzoic Acid
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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)
2-Nitrobenzoic acid
NSC 9576
o-Nitrobenzoic acid
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]
Molecular Formula:C7H5NO4
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:167.021858
MonoIsotopic Mass:167.021858
Topological Polar Surface Area:83.1
Heavy Atom Count:12
Formal Charge:0
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: IrritantXi, HarmfulXn
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
RTECS: DH5050000
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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