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Home> Encyclopedia > Hot Product Listed S   > Sulfanilamide
63-74-1 structure

Sulfanilamide

Iupac Name:4-aminobenzenesulfonamide
CAS No.:63-74-1
EINECS(EC#): 200-563-4
Molecular Weight:172.202
Molecular Formula:C6H8N2O2S (isomer)
Names and Identifiers
Synonyms

p-amino-benzenesulfonamid p-Aminobenzensulfonamide p-Aminophenylsulfonamide Prontalbin Prontosil album Prontosil i Prontosil white prontosilalbum

Inchi
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChkey
FDDDEECHVMSUSB-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1N)S(=O)(=O)N
Properties
Appearance
White to yellowish crystalline powder
Density
1.08
Melting Point
164-167℃
Boiling Point
401
Refractive Index
1.5897 (158 C)
Flash Point
196
Solubility
5 g/l at 25 C Appearance:White to yellowish crystalline powder
Transport Information:25kgs
Hazard Symbols:UN NO.
MSDS:View
Color/Form
LEAFLETS FROM AQ ALCOHOL
CRYSTALS
Other physical and chemical properties
PHYSICAL DESCRIPTION: White powder. pH of 0.5% aqueous solution: 5.8-6.1. (NTP, 1992)
Stability
Stable under normal temperatures and pressures.
HS Code
29350090
Storage temp
0-6°C
Spectral properties
SADTLER REFERENCE NUMBER: 301 (IR, PRISM); MAX ABSORPTION (ALC): 258.5 NM (LOG E= 4.28)
MAX ABSORPTION: 257 NM, 313 NM
IR: 102 (Sadtler Research Laboratories IR Grating Collection)
UV: 117 (Sadtler Research Laboratories Spectral Collection)
NMR: 9685 (Sadtler Research Laboratories Spectral Collection)
MASS: 4284 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Safety and Handling
Hazard Codes
Xn
Risk Statements
R40
Safety Statements
S24/25
HazardClass
8
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WO8400000
CHEMICAL NAME :
Sulfanilamide
CAS REGISTRY NUMBER :
63-74-1
BEILSTEIN REFERENCE NO. :
0511852
LAST UPDATED :
199701
DATA ITEMS CITED :
30
MOLECULAR FORMULA :
C6-H8-N2-O2-S
MOLECULAR WEIGHT :
172.22
WISWESSER LINE NOTATION :
ZSWR DZ

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 :
3900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
180 gm/kg/90D-I
TOXIC EFFECTS :
Blood - changes in spleen Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
82200 mg/kg/39W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
60 gm/kg/30D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
135 mg/kg/9W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
974 mg/kg
SEX/DURATION :
female 34-37 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
22 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
22 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
30 umol/L
REFERENCE :
SinJF# Personal Communication from J.F. Sina, Merck Institute for Therapeutic Research, West Point, PA 19486, Oct. 26, 1982 Volume(issue)/page/year: 26OCT1982 *** REVIEWS *** TOXICOLOGY REVIEW JMSHAO Journal of the Mount Sinai Hospital (New York). (New York, NY) V.1-36, 1934-69. For publisher information, see MSJMAZ. Volume(issue)/page/year: 10,343,1943 TOXICOLOGY REVIEW PCNAA8 Pediatric Clinics of North America. (W.B. Saunders Co., W. Washington Sq., Philadelphia, PA 19105) V.1- 1954- Volume(issue)/page/year: 8,413,1961 TOXICOLOGY REVIEW DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(6),13,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84382 No. of Facilities: 149 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 3565 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84382 No. of Facilities: 654 (estimated) No. of Industries: 6 No. of Occupations: 11 No. of Employees: 6529 (estimated) No. of Female Employees: 3131 (estimated)
Transport
25kgs
Formulations/Preparations
Marketed in combination with aminacrine hydrochloride and allantoin
AVC Cream contains Sulfanilamide 15.0%, Aminacrine hydrochloride 0.2% and Allantoin 2.0% /per tube/
AVC/Dienestrol Cream contains /constituents of AVC cream with/ 0.01% Dienestrol in a water miscible base /each 4 oz tube/
AVC Suppositories contain sulfanilamide 1.05 g, Aminacrine hydrochloride 0.014 g and Allantoin 0.14 g /per suppository/
AVC/Dienestrol suppositories contain /constituents of AVC suppositories with/ 0.70 mg Dienestrol
Exposure Standards and Regulations
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Octanol/Water Partition Coefficient
log Kow = -0.62
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:172.202g/mol
  • Molecular Formula:C6H8N2O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.6
  • Exact Mass:172.031
  • Monoisotopic Mass:172.031
  • Complexity:211
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:94.6A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAQQQAAACAiBUAAwwYBAAAKA ACRCQHDCABAgAgAIiBgAZIgIICKAkZGAIABgkAAIyAcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAA AA==
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