1-(4-bromophenylsulfonyl)piperidine

Modify Date: 2024-01-14 13:46:55

1-(4-bromophenylsulfonyl)piperidine Structure
1-(4-bromophenylsulfonyl)piperidine structure
Common Name 1-(4-bromophenylsulfonyl)piperidine
CAS Number 834-66-2 Molecular Weight 304.20300
Density 1.513 g/cm3 Boiling Point 396.9ºC at 760mmHg
Molecular Formula C11H14BrNO2S Melting Point 91-93ºC
MSDS N/A Flash Point 193.8ºC

 Names

Name 1-((4-Bromophenyl)sulfonyl)piperidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.513 g/cm3
Boiling Point 396.9ºC at 760mmHg
Melting Point 91-93ºC
Molecular Formula C11H14BrNO2S
Molecular Weight 304.20300
Flash Point 193.8ºC
Exact Mass 302.99300
PSA 45.76000
LogP 3.64240
Index of Refraction 1.594
Storage condition Keep Cold

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-(4-Bromophenylsulfonyl)piperidine
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:1-(4-Bromophenylsulfonyl)piperidine
CAS number:834-66-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C11H14BrNO2S
Molecular weight:304.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM4958200
CHEMICAL NAME :
Piperidine, 1-((p-bromophenyl)sulfonyl)-
CAS REGISTRY NUMBER :
834-66-2
BEILSTEIN REFERENCE NO. :
0213266
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H14-Br-N-O2-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,21,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/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: 8,548,1965

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2935009090

 Synthetic Route

~99%

1-(4-bromophenylsulfonyl)piperidine Structure

1-(4-bromopheny...

CAS#:834-66-2

Literature: Heinrich, Daniel M.; Flanagan, Jack U.; Jamieson, Stephen M.F.; Silva, Shevan; Rigoreau, Laurent J.M.; Trivier, Elisabeth; Raynham, Tony; Turnbull, Andrew P.; Denny, William A. European Journal of Medicinal Chemistry, 2013 , vol. 62, p. 738 - 744

~88%

1-(4-bromophenylsulfonyl)piperidine Structure

1-(4-bromopheny...

CAS#:834-66-2

Literature: SYNGENE INTERNATIONAL PRIVATE LIMITED Patent: WO2004/20401 A1, 2004 ; Location in patent: Page 8-9 ;

~%

1-(4-bromophenylsulfonyl)piperidine Structure

1-(4-bromopheny...

CAS#:834-66-2

Literature: Journal of the American Chemical Society, , vol. 45, p. 2697

 Customs

HS Code 2935009090
Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

 Synonyms

1-(4-bromophenyl)sulfonylpiperidine