Basic information
- CAS
2488-50-8- Standard SMILES
COc1ccc(S(=O)(=O)F)cc1C(=O)O- InChIKey
JKEBLZKYIOYFNV-UHFFFAOYSA-N- Molecular formula
- C8H7FO5S
- Average molar mass
- 234.2 g/mol
- Monoisotopic mass
- 233.99982266
Names & identifiers
- Preferred name
- o-Anisic acid, 5-(fluorosulfonyl)-
- IUPAC
- 5-fluorosulfonyl-2-methoxybenzoic acid
- English name
- 5-Fluorosulfonyl-2-methoxybenzoic acid
- Molecular formula
- C8H7FO5S
- Molecular weight
- 234.2
Names & synonyms
2488-50-8o-Anisic acid, 5-(fluorosulfonyl)-Benzoic acid, 5-(fluorosulfonyl)-2-methoxy-DTXSID40308850RefChem:167139DTXCID60259976JKEBLZKYIOYFNV-UHFFFAOYSA-N5-(Fluorosulfonyl)-2-methoxybenzoic acid5-fluorosulfonyl-2-methoxybenzoic acidMFCD000652525-Fluorosulfonyl-2-methoxy-benzoic acid5-Fluorosulfonyl-O-anisic Acid
Show more names
NSC210257AKOS024332995ES-2108NSC-2102575-(Fluorosulfonyl)-2-methoxybenzoicacidNCGC00664851-01DS-0071965-(Fluorosulfonyl)-2-methoxybenzoic acid #
Database identifiers
- CAS
2488-50-8- PubChem CID
- 308458
- DTXSID
DTXSID40308850- EC Number
- 636-732-8
- Nikkaji
- J124.162A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-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
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Suppliers9 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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