4-Bromobenzenesulfonamide

Names

[ CAS No. ]:
701-34-8

[ Name ]:
4-Bromobenzenesulfonamide

[Synonym ]:
4-bromophenylsulfonamide
4-bromo-benzenesulphonamide
4-Bromobenzenesulfonamide
4-bromobenzene sulfonamide
(4-bromobenzenesulfonyl)amide
4-aminosulfonyl-1-bromobenzene
Benzenesulfonamide,4-bromo
p-bromobenzenesulfonamide
MFCD00051977
Benzenesulfonamide,p-bromo
Benzenesulfonamide, 4-bromo-
1-bromo-4-benzenesulfonamide

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
360.7±44.0 °C at 760 mmHg

[ Melting Point ]:
163-167 °C

[ Molecular Formula ]:
C₆H₆BrNO₂S

[ Molecular Weight ]:
236.086

[ Flash Point ]:
171.9±28.4 °C

[ Exact Mass ]:
234.930252

[ PSA ]:
68.54000

[ LogP ]:
1.36

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.614

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB0550000

CHEMICAL NAME :: Benzenesulfonamide, p-bromo-

CAS REGISTRY NUMBER :: 701-34-8

BEILSTEIN REFERENCE NO. :: 2691657

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H6-Br-N-O2-S

MOLECULAR WEIGHT :: 236.10

WISWESSER LINE NOTATION :: ZSWR DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 21,193,1968

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

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DB0550000

[ HS Code ]:
2935009090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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A group of regioisomeric phenylethynylbenzenesulfonamides possessing a COX-2 SO2NH2 pharmacophore at the para-, meta- or ortho-position of the C-1 phenyl ring, in conjunction with a C-2 substituted-ph...

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