Basic information
- CAS
646071-55-8- Standard SMILES
O=S(=O)(c1cccc(CO)c1)N1CCOCC1- InChIKey
PTHYGSUCUYDAKW-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- [3-(Morpholine-4-sulfonyl)phenyl]methanol
- IUPAC
- (3-morpholin-4-ylsulfonylphenyl)methanol
- English name
- [3-(MORPHOLIN-4-YLSULFONYL)PHENYL]METHANOL
- Molecular formula
- C11H15NO4S
- Molecular weight
- 257.31
Names & synonyms
[3-(morpholine-4-sulfonyl)phenyl]methanol(3-(morpholine-4-sulfonyl)phenyl)methanolRefChem:399709997-947-3646071-55-8[3-(morpholin-4-ylsulfonyl)phenyl]methanol(3-(Morpholinosulfonyl)phenyl)methanol(3-morpholin-4-ylsulfonylphenyl)methanolMFCD04635874Morpholine, 4-[[3-(hydroxymethyl)phenyl]sulfonyl]-SCHEMBL18584842SCHEMBL27504978
Show more names
3-(Morpholine-4-sulfonyl)phenyl]methanolBenzenemethanol, 3-(4-morpholinylsulfonyl)-[3-(morpholine-4-sulfonyl)phenyl]methanol - [M92363]
DTXSID90368722(3-morpholinosulfonylphenyl)methanol3-(Morpholinosulfonyl)benzyl AlcoholAKOS0089671393-(4-Morpholinylsulfonyl)benzenemethanolSY132484DB-393847CS-0220925
Database identifiers
- CAS
646071-55-8- PubChem CID
- 2452209
- DTXSID
DTXSID90368722- EC Number
- 997-947-3
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 464 · 464.0±55.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 14.03 · 14.03±0.10(Predicted)
- Appearance
- White to off-white Solid
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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