1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
Basic information
- CAS
1338976-16-1- Standard SMILES
CC(C)n1cnc(S(=O)(=O)Cl)c1- InChIKey
ANCMLGODQYIJMA-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2O2S
- Average molar mass
- 208.67 g/mol
- Monoisotopic mass
- 208.0073264
Names & identifiers
- Preferred name
- 1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
- IUPAC
- 1-propan-2-ylimidazole-4-sulfonyl chloride
- English name
- 1-(Propan-2-yl)-1H-imidazole-4-sulfonyl chloride
- Molecular formula
- C6H9ClN2O2S
- Molecular weight
- 208.67
Names & synonyms
1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride1338976-16-1RefChem:428424817-012-41-propan-2-ylimidazole-4-sulfonyl chloride1-isopropyl-1H-imidazole-4-sulfonyl chloride1-ISOPROPYLIMIDAZOLE-4-SULFONYL CHLORIDEAKOS013462163AT12192EN300-859721-(propan-2-yl)-1H-imidazole-4-sulfonylchlorideF495907
Show more names
1H-Imidazole-4-sulfonyl chloride, 1-(1-methylethyl)-
F2158-1666Z1201023084
Database identifiers
- CAS
1338976-16-1- PubChem CID
- 54595262
- EC Number
- 817-012-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 355 · 355.0±15.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 0.32 · 0.32±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H319-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, 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)
- GHS07,GHS05
- Hazard statements
- H335-H315-H319-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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