4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonyl chloride
Basic information
- CAS
1099660-63-5- Standard SMILES
O=S(=O)(Cl)c1ccc(-n2cnnn2)cc1- InChIKey
FROFVIWAFKEQQY-UHFFFAOYSA-N- Molecular formula
- C7H5ClN4O2S
- Average molar mass
- 244.66 g/mol
Names & identifiers
- Preferred name
- 4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonyl chloride
- IUPAC
- 4-(tetrazol-1-yl)benzenesulfonyl chloride
- English name
- 4-(1H-tetrazol-1-yl)benzene-1-sulfonyl chloride
- Molecular formula
- C7H5ClN4O2S
- Molecular weight
- 244.66
Names & synonyms
4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonyl chloride1099660-63-5RefChem:510432844-342-64-(tetrazol-1-yl)benzenesulfonyl chloride4-(1H-tetrazol-1-yl)benzene-1-sulfonyl chlorideSCHEMBL14919144FROFVIWAFKEQQY-UHFFFAOYSA-NAKOS009384656DA-15593CS-0252431EN300-60269
Show more names
Benzenesulfonyl chloride, 4-(1H-tetrazol-1-yl)-
F8880-4551Z401601556
Database identifiers
- CAS
1099660-63-5- PubChem CID
- 43363641
- EC Number
- 844-342-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 410.8 · 410.8±47.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 0.02 · 0.02±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, 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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Suppliers
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Related reactions
3 records
Compound notes
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