5-Chlorobenzotriazole
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Product Description
Product
5-Chlorobenzotriazole
CAS
39994-75-9
Formula
C5H11NO2
Typical Product Specifications
Molecular weight
394.42
EINECS
201-501-9
SMILES
c12c3c(O[C@H](C3)C(=C)C)ccc1C(=O)[C@@H]1[C@H](O2)COc2c1cc(c(c2)OC)OC
InChI
1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
InChIKey
JUVIOZPCNVVQFO-UHFFFAOYSA-N
Water solubility
0.2 mg/L
log P (octanol-water)
4.1
Atmospheric OH Rate Constant
3.29E-10 cm3/molecule-sec
Henry's Law Constant
1.12E-13 atm-m3/mole
Melting Point
176 ° C
Class
5-Chlorobenzotriazole
Product Description
Product
5-Chlorobenzotriazole
CAS
39994-75-9
Formula
C5H11NO2
Typical Product Specifications
Molecular weight
394.42
EINECS
201-501-9
SMILES
c12c3c(O[C@H](C3)C(=C)C)ccc1C(=O)[C@@H]1[C@H](O2)COc2c1cc(c(c2)OC)OC
InChI
1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
InChIKey
JUVIOZPCNVVQFO-UHFFFAOYSA-N
Water solubility
0.2 mg/L
log P (octanol-water)
4.1
Atmospheric OH Rate Constant
3.29E-10 cm3/molecule-sec
Henry's Law Constant
1.12E-13 atm-m3/mole
Melting Point
176 ° C
Class
