Benzoic acid,2-(acetyloxy)-5-bromo-

Modify Date: 2024-01-02 10:14:59

Benzoic acid,2-(acetyloxy)-5-bromo- Structure
Benzoic acid,2-(acetyloxy)-5-bromo- structure
 Common Name Benzoic acid,2-(acetyloxy)-5-bromo-
CAS Number 1503-53-3 Molecular Weight 259.05300
Density 1.662g/cm3 Boiling Point 368.4ºC at 760mmHg
Molecular Formula C9H7BrO4 Melting Point 60 °C
MSDS N/A Flash Point 176.6ºC

 Names

Name 2-acetyloxy-5-bromobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.662g/cm3
Boiling Point 368.4ºC at 760mmHg
Melting Point 60 °C
Molecular Formula C9H7BrO4
Molecular Weight 259.05300
Flash Point 176.6ºC
Exact Mass 257.95300
PSA 63.60000
LogP 2.07260
Vapour Pressure 4.46E-06mmHg at 25°C
Index of Refraction 1.585

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VO1870000
CHEMICAL NAME :
Salicylic acid, 5-bromo-, acetate
CAS REGISTRY NUMBER :
1503-53-3
BEILSTEIN REFERENCE NO. :
2695058
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H7-Br-O4
MOLECULAR WEIGHT :
259.07

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1130 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
CRAAA7 Current Researches in Anesthesia and Analgesia. (Cleveland, OH) V.1-35, 1922-56. For publisher information, see AACRAT. Volume(issue)/page/year: 25,221,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
CRAAA7 Current Researches in Anesthesia and Analgesia. (Cleveland, OH) V.1-35, 1922-56. For publisher information, see AACRAT. Volume(issue)/page/year: 25,221,1946 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16800 mg/kg/8W-C
TOXIC EFFECTS :
Musculoskeletal - other changes Related to Chronic Data - death
REFERENCE :
CRAAA7 Current Researches in Anesthesia and Analgesia. (Cleveland, OH) V.1-35, 1922-56. For publisher information, see AACRAT. Volume(issue)/page/year: 25,221,1946

 Safety Information

HS Code 2918990090

 Synthetic Route

5-Bromo-2-hydroxybenzoic acid structure

5-Bromo-2-hydro...

CAS#:89-55-4

Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

~86%

Benzoic acid,2-(acetyloxy)-5-bromo- Structure

Benzoic acid,2-...

CAS#:1503-53-3

Literature: Sharma, Horrick; Patil, Shivaputra; Sanchez, Tino W.; Neamati, Nouri; Schinazi, Raymond F.; Buolamwini, John K. Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 6 p. 2030 - 2045
5-Bromo-2-hydroxybenzoic acid structure

5-Bromo-2-hydro...

CAS#:89-55-4

~87%

Benzoic acid,2-(acetyloxy)-5-bromo- Structure

Benzoic acid,2-...

CAS#:1503-53-3

Literature: Kowa Co., Ltd. Patent: US6136848 A1, 2000 ;
5-Bromo-2-hydroxybenzoic acid structure

5-Bromo-2-hydro...

CAS#:89-55-4

Acetyl chloride structure

Acetyl chloride

CAS#:75-36-5

~96%

Benzoic acid,2-(acetyloxy)-5-bromo- Structure

Benzoic acid,2-...

CAS#:1503-53-3

Literature: TRANSTECH PHARMA, INC. Patent: WO2004/14844 A2, 2004 ; Location in patent: Page 203 ; WO 2004/014844 A2

 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

5-bromo-2-acetoxybenzoic acid
5-Bromosalicylic acid acetate
2-Acetoxy-5-brom-benzoesaeure
5-Bromo-2-acetylsalicylic acid
5-bromoaspirin
5-Bromoacetylsalicylic acid
2-Acetoxy-5-bromobenzoic acid
Sedasprin
Bromoaspirin
acetyl-5-bromosalicylic acid
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