2-Chloro-5-nitrobenzoic Acid
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Product Description
Product
2-Chloro-5-nitrobenzoic Acid
CAS
2516-96-3
Formula
C7H4ClNO4
Synonym
Benzoic acid, 2-chloro-5-nitro-; 2-Chloro-5-nitrobenzoic acid; 6-Chloro-3-nitrobenzoic acid; AI3-16578; EC 219-739-7; EINECS 219-739-7; NSC 8441
Typical Product Specifications
Molecular weight
201.56
SMILES
c1(cc(ccc1Cl)[N+](=O)[O-])C(O)=O
InChI
1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
QUEKGYQTRJVEQC-UHFFFAOYSA-N
Water solubility
3600 mg/L
Henry's Law Constant
3.17E-10 atm-m3/mole
Vapor Pressure
1.89E-05 mm Hg
Atmospheric OH Rate Constant
5.83E-13 cm3/molecule-sec
pKa Dissociation Constant
2.17
Melting Point
166.5 ° C
log P (octanol-water)
2.03
Class
2-Chloro-5-nitrobenzoic Acid
Product Description
Product
2-Chloro-5-nitrobenzoic Acid
CAS
2516-96-3
Formula
C7H4ClNO4
Synonym
Benzoic acid, 2-chloro-5-nitro-; 2-Chloro-5-nitrobenzoic acid; 6-Chloro-3-nitrobenzoic acid; AI3-16578; EC 219-739-7; EINECS 219-739-7; NSC 8441
Typical Product Specifications
Molecular weight
201.56
SMILES
c1(cc(ccc1Cl)[N+](=O)[O-])C(O)=O
InChI
1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
QUEKGYQTRJVEQC-UHFFFAOYSA-N
Water solubility
3600 mg/L
Henry's Law Constant
3.17E-10 atm-m3/mole
Vapor Pressure
1.89E-05 mm Hg
Atmospheric OH Rate Constant
5.83E-13 cm3/molecule-sec
pKa Dissociation Constant
2.17
Melting Point
166.5 ° C
log P (octanol-water)
2.03
Class
