Basic information
- CAS
5031-74-3- Standard SMILES
O=c1[nH]c2ccc(S(=O)(=O)CCO)cc2o1- InChIKey
NLKFSULXKPSHMS-UHFFFAOYSA-N- Molecular formula
- C9H9NO5S
- Average molar mass
- 243.24 g/mol
- Monoisotopic mass
- 243.02014356
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 6-[(2-hydroxyethyl)sulfonyl]-
- IUPAC
- 6-(2-hydroxyethylsulfonyl)-3H-1,3-benzoxazol-2-one
- English name
- 6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)one
- Molecular formula
- C9H9NO5S
- Molecular weight
- 243.24
Names & synonyms
2(3h)-benzoxazolone, 6-[(2-hydroxyethyl)sulfonyl]-EINECS 225-722-5DTXSID70636832(3H)-Benzoxazolone, 6-((2-hydroxyethyl)sulfonyl)-6-[(2-Hydroxyethyl)sulfonyl]-2(3H)-benzoxazolone6-((2-Hydroxyethyl)sulphonyl)benzoxazol-2(3H)-one6-[(2-HYDROXYETHYL)SULPHONYL]BENZOXAZOL-2(3H)-ONE6-((2-Hydroxyethyl)sulfonyl)-2(3H)-benzoxazoloneRefChem:439854DTXCID2040818225-722-55031-74-3
Show more names
6-((2-HydroxyethyBenzoxazolone-6-Beta-Hydroxythylslfone6-[(2-Hydroxyethyl]benzoxazol-2-(3H)one6-[(2-hydroxyethyl)sulfonyl]-2(3h)-benzoxazolon6-(2-HYDROXY-ETHANESULFONYL)-3H-BENZOOXAZOL-2-ONE6-[(2-HYDROXYETHYL)-SULFONYL]-BENZOXAZOL-2(3H)-ONE6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)one,98%
6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)one6-(2-hydroxyethylsulfonyl)-3H-1,3-benzoxazol-2-one6-((2-Hydroxyethyl)sulfonyl)benzo[d]oxazol-2(3H)-one6-(2-hydroxyethanesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)-one6-[(2-hydroxyethyl)sulfonyl]-3-hydrobenzoxazol-2-one2(3H)-Benzoxazolone,6-[(2-hydroxyethyl)sulfonyl]-3FHG9Z4C25
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 207 · 207-210 °C(lit.)
- EPA Substance Registry System
- 2 · 2(3H)-Benzoxazolone, 6-[(2-hydroxyethyl)sulfonyl]- (5031-74-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(3H)-Benzoxazolone, 6-[(2-hydroxyethyl)sulfonyl]-: INACTIVE
Suppliers9 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
陕西奥博利辉新材料科技有限公司0917-18691729 18691729963 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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