1,3,5-Benzenetrisulfonyl trichloride

HCID 88940
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Basic information

CAS
21538-06-7
Standard SMILES
O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1
InChIKey
HDPRVQJRZUJZPT-UHFFFAOYSA-N
Molecular formula
C6H3Cl3O6S3
Average molar mass
373.6 g/mol
Monoisotopic mass
371.81573386

Names & identifiers

Preferred name
1,3,5-Benzenetrisulfonyl trichloride
IUPAC
benzene-1,3,5-trisulfonyl chloride
English name
1,3,5-Benzenetrisulfonyl chloride
Molecular formula
C6H3Cl3O6S3
Molecular weight
373.64

Names & synonyms

21538-06-71,3,5-Benzenetrisulfonyl trichlorideDTXSID3066712EINECS 244-428-8RefChem:72277DTXCID3036498benzene-1,3,5-trisulfonyl chloride1,3,5-BENZENETRISULFONYL CHLORIDE1,3,5-BENZENETRISULFONYLCHLORIDE1,3,5-Benzenetrisulfonyltrichloridebenzene-1,3,5-trisulfonyl trichlorideSCHEMBL218559
Show more names
benzene-1,3,5-trisulfonylchloride1,3, 5-phenyltrisulfonyl chloride1，3，5-benzenetrisulfonylacylchloroBenzene-1,3,5-tris(sulfonic acid chloride)
SCHEMBL279801501,3,5-Benzenetrisulfonyl choride135-Benzenetrisulfonyl trichlorideWAA53806Benzene-1,3,5-trisulphonyl trichlorideNS00050317G77590

Database identifiers

CAS
21538-06-7
PubChem CID
88940
DTXSID
DTXSID3066712
EC Number
244-428-8
Nikkaji
J83.082H

Properties

Computed structural properties

XLogP
2
Topological polar surface area
128 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
18

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

InChI
InChI=1S/C6H3Cl3O6S3/c7-16(10,11)4-1-5(17(8,12)13)3-6(2-4)18(9,14)15/h1-3H
InChIKey
HDPRVQJRZUJZPT-UHFFFAOYSA-N
SMILES
C1(S(Cl)(=O)=O)=CC(S(Cl)(=O)=O)=CC(S(Cl)(=O)=O)=C1
EPA Substance Registry System
1 · 1,3,5-Benzenetrisulfonyl trichloride (21538-06-7)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3,5-Benzenetrisulfonyl trichloride: ACTIVE

Applications

Uses1,3,5-Benzenetrisulfonyl chloride can be used as an acylation reagent or a protecting reagent for carboxylic acids in organic synthesis.

Upstream & downstream products

Upstream raw materials

Suppliers23 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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