4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID

Modify Date: 2025-08-26 18:24:56

4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID Structure
4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID structure
Common Name 4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID
CAS Number 41727-45-1 Molecular Weight 247.07500
Density 1.388g/cm3 Boiling Point 363ºC at 760 mmHg
Molecular Formula C10H8Cl2O3 Melting Point N/A
MSDS N/A Flash Point 173.3ºC

 Names

Name 3,5-dichloro-4-prop-2-enoxybenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.388g/cm3
Boiling Point 363ºC at 760 mmHg
Molecular Formula C10H8Cl2O3
Molecular Weight 247.07500
Flash Point 173.3ºC
Exact Mass 245.98500
PSA 46.53000
LogP 3.25640
Index of Refraction 1.572
InChIKey RXLVKVUKUULKAK-UHFFFAOYSA-N
SMILES C=CCOc1c(Cl)cc(C(=O)O)cc1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG0995500
CHEMICAL NAME :
Benzoic acid, 4-(allyloxy)-3,5-dichloro-
CAS REGISTRY NUMBER :
41727-45-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H8-Cl2-O3
MOLECULAR WEIGHT :
247.08
WISWESSER LINE NOTATION :
QVR CG EG DO2U1

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 :
460 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,213,1960

 Safety Information

HS Code 2918990090

 Synthetic Route

~92%

4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID Structure

4-(ALLYLOXY)-3,...

CAS#:41727-45-1

Literature: Lindner, Wolfgang; Lammerhofer, Michael Patent: US7064234 B2, 2006 ; Location in patent: Page/Page column 22 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

4-Allyloxy-3,5-dichlorobenzoesaeure
4-allyloxy-3,5-dichloro-benzoic acid
3.5-Dichlor-4-allyloxybenzoesaeure
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