5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulphonyl)-2-nitrobenzamide
EC번호 |
276-439-9 |
CAS번호 |
72178-02-0 |
물질명 |
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulphonyl)-2-nitrobenzamide |
분자식 |
C15H10ClF3N2O6S |
GENERATED SMILES |
CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-] |
GENERATED IUPAC NAME |
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide |
GENERATED InChI |
InChI=1/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22) |
Melting point |
-31 |
Boiling point |
229 |
Vapor pressure |
638 |
Water solubility |
82.85 |
Log octanol-water coefficient (Kow) |
14.12863071 |
Hydroxyl radical |
22 |
rate constant |
70.48 |
Aquatic toxicity -LC50 (fish) |
1.58 |
Aquatic toxicity -LC50 (dapnias) |
4.76 |
Aquatic toxicity -EC50 (green algae) |
7.57 |
Ready biodegradability |
8.8 |
Aqueous hydrolysis |
5.25 |
Soil adsorption coeficient (Koc) |
0.897514 |
BCF & BAF |
71.1451 |
Carcinogenicity |
0 |
Irritancy |
0 |
Lachrymation |
0 |
Neurotoxicity and Thyroid Toxicity |
0 |
Teratogenicity |
0 |
Respiratory and Skin Sensitization |
1 |
Mutagenicity |
0 |
Daphina magna EC50 |
56.5176 |
Fathead Minnow LC50 |
88.259 |
Aerobic biodegradability |
5.778 |
Developmental toxicity potential |
60.4725 |
NTP Rodent Carcinogenicity |
1 |
Ocular Irritancy |
1 |
Octonal/Water LogP |
18951 |
Rabbit Skin Irritancy |
707244 |
Rat Chronic LOAEL |
790540 |
(Lowest Observed Adverse Effect Level) |
91427.7 |
Rat Inhalation Toxicity LC50 |
326.355 |
Rat Maximum Tolerated Dose (MTD) |
980.592 |
Rat Maximum Tolerated Dose (MTD) |
980.592 |
Rat Oral LD50 |
912.748 |
Skin Sensitization |
0.819 |
Weight-of-Evidence Rodent Carcinogenicity |
0 |