Basic information
- 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
GHS classification
GHS Classification
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
Linked notes
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