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Saccharin

CAT: 0286-S00080-02Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-S00080-02Size:500 g
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CAS Number
81-07-2
Synonyms
O-Sulfobenzimide; o-Benzoic sulfimide; 2-Sulfobenzoic acid imide; 2,3-Dihydroxy-1,2-benzisothiazol-3-one-1,1-dioxide
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005866
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Saccharin

Saccharin is a 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. It has a role as a xenobiotic, a sweetening agent and an environmental contaminant. It is a 1,2-benzisothiazole and a N-sulfonylcarboxamide.

CAS Number81-07-2
PubChem CID5143
IUPAC Name1,1-dioxo-1,2-benzothiazol-3-one
Molecular FormulaC7H5NO3S
Molecular Weight183.19
XLogP0.9
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity303
SMILES
C1=CC=C2C(=C1)C(=O)NS2(=O)=O
InChI
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChIKey
CVHZOJJKTDOEJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Saccharin
CAS: 81-07-2
CID: 5143
Formula: C7H5NO3S
MW: 183.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.19
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass182.99901420
Monoisotopic Mass182.99901420
Topological Polar Surface Area71.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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