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Saccharin

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Identification
Molecular formula
C7H5NO3S
CAS number
81-07-2
IUPAC name
1,1-dioxo-1,2-benzothiazol-3-one
State
State

At room temperature, saccharin is in a solid state. It is usually stable under standard conditions and does not react with most chemicals. Its stability and long shelf life make it an ideal non-nutritive sweetener for many food products.

Melting point (Celsius)
228.80
Melting point (Kelvin)
501.95
Boiling point (Celsius)
523.00
Boiling point (Kelvin)
796.15
General information
Molecular weight
183.19g/mol
Molar mass
183.1860g/mol
Density
0.8287g/cm3
Appearence

Saccharin is a white crystalline powder. It is odorless or has a faint aromatic odor. Saccharin is often available in its sodium or calcium salt forms, which are more soluble in water than the pure compound. Its crystalline appearance can vary slightly depending on how it is processed, but it is typically fine and even in texture.

Comment on solubility

Solubility of 1,1-Dioxo-1,2-benzothiazol-3-one (C7H5NO3S)

The solubility of 1,1-dioxo-1,2-benzothiazol-3-one can be described as follows:

  • Polar Nature: The presence of the nitrogen and oxygen atoms in the structure contributes to its polar character, which can enhance solubility in polar solvents.
  • Solvents: This compound is generally soluble in organic solvents. Commonly suitable solvents include:
    • Dimethyl sulfoxide (DMSO)
    • Methanol
    • Acetone
  • Water Solubility: However, its solubility in water may be limited due to its overall hydrophobic characteristics, resulting from the benzothiazole structure.

As a result, while 1,1-dioxo-1,2-benzothiazol-3-one exhibits reasonable solubility in certain organic solvents, it is essential to consider its specific interactions when predicting behavior in varied solvent environments. Always ensure to test solubility to confirm compatibility with the intended application.

Interesting facts

Interesting Facts About 1,1-Dioxo-1,2-benzothiazol-3-one

1,1-Dioxo-1,2-benzothiazol-3-one, also known as benzothiazole-2,2-dioxide, is a fascinating chemical compound with various implications in the fields of chemistry and industrial applications.

Key Characteristics

  • Structure: This compound features a benzothiazole ring, which is notable for its sulfur and nitrogen-containing heterocyclic structure. This unique arrangement contributes to its distinct chemical properties.
  • Applications: Due to its biological activity, this compound is often utilized in the production of dyes, pharmaceuticals, and agrochemicals. Its effectiveness makes it a valuable resource in these industries.
  • Functional Groups: The presence of dioxo functional groups adds to its reactivity, allowing it to participate in various chemical reactions, which is essential for synthetic organic chemistry.

Significance in Research

Research continues to explore further applications of 1,1-dioxo-1,2-benzothiazol-3-one:

  • Biological Activity: Some studies suggest that it may exhibit antimicrobial properties, making it a subject of interest in medicinal chemistry.
  • Material Science: Its unique properties render it a candidate for developing new materials with specific functionalities.

Quote from a Chemist

As one chemist aptly put it, "The interplay of the dioxo groups with the aromatic system provides a canvas for reactions that can lead to both established and novel compounds." This highlights the compound's potential in advancing chemical knowledge and creating innovative solutions.

In summary, 1,1-dioxo-1,2-benzothiazol-3-one stands out for its intriguing structure and versatility, making it a compound worth studying for both practical applications and theoretical exploration.

Synonyms
saccharin
81-07-2
o-Benzoic sulfimide
Saccharine
o-Sulfobenzimide
Saccharimide
Benzosulfimide
Garantose
o-Benzosulfimide
Benzoic sulfimide
Benzosulphimide
Saccharinol
Saccharinose
Gluside
Saccharin insoluble
Benzosulfinide
Hermesetas
Saccharol
Glucid
Sweeta
Benzoic sulphimide
Kandiset
Sacarina
Sucrette
Zaharina
Sykose
Saxin
Saccharin acid
o-Benzoyl sulfimide
Sucre edulcor
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
Benzo-2-sulphimide
Benzoylsulfonic Imide
o-Benzosulphimide
Insoluble saccharin
1,2-Benzisothiazol-3(2H)-one 1,1-dioxide
Natreen
Sacharin
o-Benzoic sulphimide
o-Benzoyl sulphimide
o-Sulfobenzoic acid imide
2-Sulphobenzoic imide
2,3-Dihydro-3-oxobenzisosulfonazole
550 Saccharine
Anhydro-o-sulfaminebenzoic acid
Benzo[d]isothiazol-3(2H)-one 1,1-dioxide
Benzoic acid sulfimide
1,2-Dihydro-2-ketobenzisosulfonazole
3-Benzisothiazolinone 1,1-dioxide
Benzosulfimide, O-
Rcra waste number U202
Sulfobenzimide, O-
3-Hydroxybenzisothiazole S,S-dioxide
1,1-dioxo-1,2-benzothiazol-3-one
Saccharinum
2,3-Dihydro-3-oxobenzisosulphonazole
1,2-Dihydro-2-ketobenzisosulphonazole
Benzo-sulphinide
1,2-Benzisothiazolin-3-one 1,1-dioxide
3-Hydroxybenzisothiazole-S,S-dioxide
2-Sulfobenzoic acid imide
Saccharin, insoluble
SACCHARIN SODIUM
HSDB 669
Syncal
DTXSID5021251
o-Benzoic acid sulfimide
1,2-Benzisothiazolin-3-one, 1,1-dioxide
UNII-FST467XS7D
NSC 5349
NSC 5731
NSC-5349
EINECS 201-321-0
FST467XS7D
Cristallose
Crystallose
Kristallose
Willosetten
Madhurin
Sucromat
Sodium saccharin
INS NO.954(I)
CHEBI:32111
Saccharin soluble
Sodium saccharide
Sodium saccharine
Soluble saccharin
AI3-38107
Saccharine soluble
INS-954(I)
Saccharin, sodium salt
E-954(I)
Sodium o-benzosulfimide
1,1-Dioxide-1,2-benzisothiazolin-3-one
CHEMBL310671
DTXCID401251
1,1-Dioxo-1,2-benzisothiazol-3(2H)-one
1,2-Benzothiazol-3(2H)-one 1,1-dioxide
128-44-9
o-Sulfonbenzoic acid imide sodium salt
EC 201-321-0
1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one
1,1-Diox-1,2-benzisothiazol-3-one
2,3-Dihydroxy-1,2-benzisothiazol-3-one-1,1-dioxide
NCGC00094918-03
E954
SACCHARIN (II)
SACCHARIN [II]
Saccharin, soluble
1,2-Benzisothiazoline-3-one 1,1-dioxide
SACCHARIN (IARC)
SACCHARIN [IARC]
1,1-Dioxide-1,2-benzisothiazol-3(2H)-one
SACCHARIN (MART.)
SACCHARIN [MART.]
SACCHARIN (USP-RS)
SACCHARIN [USP-RS]
Sacharin [Czech]
Saccharin [USAN]
2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione
2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide
Artificial sweetening substanz gendorf 450
SACCHARIN (EP MONOGRAPH)
SACCHARIN [EP MONOGRAPH]
CAS-81-07-2
Saccharin [NF]
NSC4867
NSC5731
LSA
1,1-Dioxo-1,2-dihydro-benzo(d)isothiazol-3-one
RCRA waste no. U202
Glycophenol
Neosaccharin
SR-01000389315
ulfonylurea TP3
Benzo-2-sulfiide
O-Benzoylsulfimide
2-Sulfobenzoicimide
M07 (saccharin)
MFCD00005866
O-Sulfobenzoic imide
Sweeta (TN)
o-sulphobenzoic imide
2-Sulfobenzoic imide
Oxasulfuron metabolite
Saccharin (Standard)
Spectrum_000213
Saccharin, >=98%
Saccharin, >=99%
SACCHARIN [FCC]
SACCHARIN [JAN]
SACCHARIN [MI]
SACCHARIN [HSDB]
Saccharin (JP15/NF)
Saccharin (JP17/NF)
Spectrum2_001432
Spectrum3_001475
Spectrum4_000449
Spectrum5_001181
SACCHARIN [VANDF]
1,2-benzisothiazol-3(2H)-one-1,1-dioxide
SACCHARINUM [HPUS]
WLN: T56 BSWMVJ
SACCHARIN [WHO-DD]
SCHEMBL3816
Saccharin, puriss., 98%
NCIOpen2_005140
NCIOpen2_005180
Saccharin (IN-00581)
BSPBio_003029
KBioGR_000838
KBioSS_000693
DivK1c_000164
SPECTRUM1501171
SPBio_001564
GTPL5432
BDBM29278
HMS500I06
HY-Y0272R
KBio1_000164
KBio2_000693
KBio2_003261
KBio2_005829
KBio3_002529
NSC5349
2q38
NINDS_000164
1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]-isothiazol-3-one
1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
HMS1921N03
HMS2092J09
Pharmakon1600-01501171
BCP29068
HY-Y0272
LBC47901
PXB46617
STR03759
3-Benzisothiazolinone 1, 1-dioxide
o-Benzoic sulfimide;o-Sulfobenzimide
Tox21_111358
Tox21_201880
Tox21_302950
BBL015343
CCG-39011
NSC757878
s4819
STK803263
2, 3-Dihydro-3-oxobenzisosulfonazole
2,3-Dihydro-3-oxo-Benzisosulfonazole
AKOS000120481
AKOS017272711
Saccharin (only persons who manufacture are subject, no supplier notification)
Tox21_111358_1
1, 2-Dihydro-2-ketobenzisosulfonazole
1,2-Benzisothiazolinone, 1,1-Dioxide
DB12418
FS27775
NSC-757878
IDI1_000164
1.2-benzoisothiazole-3-on-1.1-dioxide
Benzisosulfonazole, 2,3-dihydro-3-oxo-
NCGC00094918-01
NCGC00094918-02
NCGC00094918-04
NCGC00094918-05
NCGC00094918-06
NCGC00094918-07
NCGC00094918-09
NCGC00256329-01
NCGC00259429-01
1,2-benzisothiazoline-3-one-1,1-dioxide
1.2 -benzoisothiazole-3-on 1.1-dioxide
SBI-0051671.P002
1, 2-Benzisothiazolin-3-one 1,1-dioxide
1,2-benzisothiazol-3(2H)-one,1,1-dioxide
B0004
CS-0013120
NS00007781
1,2-Benzisothiazol-3(2H) one 1,1-dioxide
EN300-18624
D01085
D70140
1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide
3-keto-2H,3H-1,2-benzisothiazole 1,1-dioxide
AB00052233-04
AB00052233_05
1,2-Benzo(d)isothiazol-3(2H)-one 1,1-dioxide
2,3-dihydro-1??,2-benzothiazole-1,1,3-trione
Q191381
Saccharin (229 degrees C) Melting Point Standard
1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole
1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI
2,3-dihydro-1,2-benzisothiazol-3-one-1,1-dioxide
2,3-dihydro-3-oxo-1,2-benzisothiazol-1,1-dioxide
SR-01000389315-2
03AC8EC2-D02A-464C-A7C3-7CABD643CC1E
2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
BRD-K46493214-001-03-4
BRD-K46493214-001-06-7
1, 2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt
1, 2-Benzothiazol-3(2H)-one 1,1-dioxide sodium salt
F0001-2092
Z256708526
1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt
1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one
Saccharin, European Pharmacopoeia (EP) Reference Standard
Mettler-Toledo Calibration substance ME 51143091, Saccharin
Saccharin, United States Pharmacopeia (USP) Reference Standard
Saccharin, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9
201-321-0
Mettler-Toledo Calibration substance ME 51143091, Saccharin, traceable to primary standards (LGC)