3,4-Dichlorobenzoic Acid
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Product Description
Product
3,4-Dichlorobenzoic Acid
CAS
51-44-5
Formula
C7H4Cl2O2
Synonym
3,4-Dichlorobenzoic acid; 4-09-00-01006 (Beilstein Handbook Reference); AI3-04213; Benzoic acid, 3,4-dichloro-; BRN 2044777; EINECS 200-099-2; NSC 17583; Synstigmine; Syntostigmin; UNII-YS4ZR9BXWX; Vagostigmin
Typical Product Specifications
Molecular weight
191.01
SMILES
c1cc(c(cc1C(=O)O)Cl)Cl
InChI
1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
VPHHJAOJUJHJKD-UHFFFAOYSA-N
Vapor Pressure
4.47E-04 mm Hg
log P (octanol-water)
3.25
Melting Point
350 dec ° C
Water solubility
61.1 mg/L
Atmospheric OH Rate Constant
6.68E-13 cm3/molecule-sec
pKa Dissociation Constant
3.64
Henry's Law Constant
5.95E-08 atm-m3/mole
Class
3,4-Dichlorobenzoic Acid
Product Description
Product
3,4-Dichlorobenzoic Acid
CAS
51-44-5
Formula
C7H4Cl2O2
Synonym
3,4-Dichlorobenzoic acid; 4-09-00-01006 (Beilstein Handbook Reference); AI3-04213; Benzoic acid, 3,4-dichloro-; BRN 2044777; EINECS 200-099-2; NSC 17583; Synstigmine; Syntostigmin; UNII-YS4ZR9BXWX; Vagostigmin
Typical Product Specifications
Molecular weight
191.01
SMILES
c1cc(c(cc1C(=O)O)Cl)Cl
InChI
1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
VPHHJAOJUJHJKD-UHFFFAOYSA-N
Vapor Pressure
4.47E-04 mm Hg
log P (octanol-water)
3.25
Melting Point
350 dec ° C
Water solubility
61.1 mg/L
Atmospheric OH Rate Constant
6.68E-13 cm3/molecule-sec
pKa Dissociation Constant
3.64
Henry's Law Constant
5.95E-08 atm-m3/mole
Class
