3-[2-(4-chlorophenyl)benzo[1,3]dioxol-2-yl]propanoic acid

Modify Date: 2025-09-13 16:57:36

3-[2-(4-chlorophenyl)benzo[1,3]dioxol-2-yl]propanoic acid Structure
3-[2-(4-chlorophenyl)benzo[1,3]dioxol-2-yl]propanoic acid structure
Common Name 3-[2-(4-chlorophenyl)benzo[1,3]dioxol-2-yl]propanoic acid
CAS Number 50836-00-5 Molecular Weight 304.72500
Density 1.361g/cm3 Boiling Point 471.1ºC at 760mmHg
Molecular Formula C16H13ClO4 Melting Point N/A
MSDS N/A Flash Point 238.7ºC

 Names

Name 3-[2-(4-Chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid

 Chemical & Physical Properties

Density 1.361g/cm3
Boiling Point 471.1ºC at 760mmHg
Molecular Formula C16H13ClO4
Molecular Weight 304.72500
Flash Point 238.7ºC
Exact Mass 304.05000
PSA 55.76000
LogP 3.82900
Index of Refraction 1.605
InChIKey HXQZDWACJPVSJQ-UHFFFAOYSA-N
SMILES O=C(O)CCC1(c2ccc(Cl)cc2)Oc2ccccc2O1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF4935000
CHEMICAL NAME :
1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-
CAS REGISTRY NUMBER :
50836-00-5
LAST UPDATED :
199203
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H13-Cl-O4
MOLECULAR WEIGHT :
304.74
WISWESSER LINE NOTATION :
T56 BO DO CHJ C2VQ CR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,539,1976

 Safety Information

HS Code 2932999099

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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