3-chloro-2-hydroxypropyl benzoate

CAS 3477-94-9 MFCD01698129

化学结构图

3477-94-9
SMILES: O=C(OCC(O)CCl)c1ccccc1

化学属性

Mol. FormulaC10H11ClO3
Mol. Weight214.66

别名和识别编码

Chemical Name3-chloro-2-hydroxypropyl benzoate
InChIKeySOEGKTCFKODFPT-UHFFFAOYSA-N
Wiswesser Line NotationG1YQ1OVR
Synonym 3-Chloro-1,2-propanediol 1-benzoate 1-Benzoyloxy-3-chloropropan-2-ol U 27,574 Benzoic acid, 3-chloro-2-hydroxypropyl ester
Beilstein Registry Number2367666
CAS Number3477-94-9
PubChem Substance ID134557
InChIInChI=1S/C10H11ClO3/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
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安全信息

RTECSTY4203100
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 20,644,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 960 mg/kg
SEX/DURATION            : male 8 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 21,263,1970

系列性分类


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