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3-Chloro-2-hydroxypropane-1-sulfonic acid

HCID 31360
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
107-57-3
Standard SMILES
O=S(=O)(O)CC(O)CCl
InChIKey
DDLBHIIDBLGOTE-UHFFFAOYSA-N
Molecular formula
C3H7ClO4S
Average molar mass
174.6 g/mol
Monoisotopic mass
173.9753576

Names & identifiers

Preferred name
3-Chloro-2-hydroxypropane-1-sulfonic acid
IUPAC
3-chloro-2-hydroxypropane-1-sulfonic acid
English name
3-chloro-2-hydroxypropanesulphonic acid
Molecular formula
C3H7ClO4S
Molecular weight
174.6

Names & synonyms

3-chloro-2-hydroxypropane-1-sulfonic acid107-57-31-Propanesulfonic acid, 3-chloro-2-hydroxy-3-Chloro-2-hydroxypropanesulfonic acidKY9R9R74G93-Chloro-2-hydroxy-1-propanesulfonic acidEINECS 203-504-0J182.223CDTXSID30450612-hydroxy-3-chloropropanesulfonic acid3-chloro-2-hydroxypropane-1-sulfonateRefChem:499777
Show more names
3-Chloro-2-hydroxypropylsulfonic acid3-chloro-2-hydroxy-propane-1-sulfonic acid
DTXCID10250613-Chloro-2-hydroxypropanesulphonic acid3-chloro-2-hydroxypropanesulphonicacidSodiumchlorooxypropanesulfonateNSC52602UNII-KY9R9R74G9SCHEMBL151184CHEMBL3306794

Database identifiers

CAS
107-57-3
PubChem CID
31360
DTXSID
DTXSID3045061
ChEMBL
CHEMBL3306794
UNII
KY9R9R74G9
EC Number
203-504-0
Nikkaji
J182.223C

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
83 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
157

Physicochemical properties

FDA UNII
9 R9R74G9 · KY9R9R74G9
EPA Substance Registry System
1 · 1-Propanesulfonic acid, 3-chloro-2-hydroxy- (107-57-3)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: 1-Propanesulfonic acid, 3-chloro-2-hydroxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanesulfonic acid, 3-chloro-2-hydroxy-: INACTIVE

Upstream & downstream products

Downstream products

1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane

Suppliers2 total

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

7 records
New reaction record
HRID 239803 reaction equation
HRID 239803As reactantuspto-grants-2014_02
HRID 239804 reaction equation
HRID 239804As reactantuspto-grants-2014_02
HRID 239806 reaction equation
HRID 239806As reactantuspto-grants-2014_02
HRID 437680 reaction equation
HRID 437680As productuspto-grants-1977_06
HRID 1141137 reaction equation
HRID 1141137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1211748 reaction equation
HRID 1211748As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1553319 reaction equation
HRID 1553319As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes