5-(Chlorosulfonyl)-2-(hexadecyloxy)benzoic acid
Basic information
- CAS
5355-07-7- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O- InChIKey
SAXDIJQWPPGCRJ-UHFFFAOYSA-N- Molecular formula
- C23H37ClO5S
- Average molar mass
- 461.1 g/mol
- Monoisotopic mass
- 460.2050231
Names & identifiers
- Preferred name
- 5-(Chlorosulfonyl)-2-(hexadecyloxy)benzoic acid
- IUPAC
- 5-chlorosulfonyl-2-hexadecoxybenzoic acid
- English name
- 5-(chlorosulfonyl)-2-(hexadecyloxy)benzoic acid
- Molecular formula
- C23H37ClO5S
- Molecular weight
- 461.05488
Names & synonyms
5-(chlorosulfonyl)-2-(hexadecyloxy)benzoic acid5355-07-7RefChem:531064653-351-2SCHEMBL6528344AKOS024430464
Database identifiers
- CAS
5355-07-7- PubChem CID
- 3482397
- EC Number
- 653-351-2
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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