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4-Azidobenzene-1-sulfonyl chloride

HCID 548486
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
15001-44-2
Standard SMILES
[N-]=[N+]=Nc1ccc(S(=O)(=O)Cl)cc1
InChIKey
XGEZBMWZAWSSIK-UHFFFAOYSA-N
Molecular formula
C6H4ClN3O2S
Average molar mass
217.63 g/mol
Monoisotopic mass
216.97127505

Names & identifiers

Preferred name
4-Azidobenzene-1-sulfonyl chloride
IUPAC
4-azidobenzenesulfonyl chloride

Names & synonyms

4-azidobenzene-1-sulfonyl chlorideRefChem:518378848-036-34-azidobenzenesulfonyl chloride15001-44-24-Azido-benzenesulfonyl chlorideBenzenesulfonyl chloride, 4-azido-p-azidobenzenesulfonyl chloride4-azidobenzenesulphonyl chloride4-azidobenzene sulfonyl chlorideSCHEMBL26665283DTXSID80338333
Show more names
p-azidobenzenesulfonic acid chlorideAKOS006336547EN300-1721587

Database identifiers

CAS
15001-44-2
PubChem CID
548486
DTXSID
DTXSID80338333
EC Number
848-036-3

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
56.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
309

Safety & regulation

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

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Related reactions

5 records
New reaction record
HRID 111867 reaction equation
HRID 111867As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 181903 reaction equation
HRID 181903As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 264794 reaction equation
HRID 264794As reactantuspto-grants-1997_07
HRID 1603191 reaction equation
HRID 1603191As reactantuspto-grants-1999_11
HRID 1709292 reaction equation
HRID 1709292As reactantuspto-grants-1990_08

Compound notes

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