Basic information
- CAS
141699-58-3- Standard SMILES
CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)C1- InChIKey
XXBDTKYKFFIAEY-UHFFFAOYSA-N- Molecular formula
- C9H17NO5S
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.08274364
Names & identifiers
- Preferred name
- Tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylate
- English name
- 1-(Tert-butoxycarbonyl)-3-(methanesulfonyloxy)azetidine
- Molecular formula
- C9H17NO5S
- Molecular weight
- 251.3
Names & synonyms
tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylateRefChem:893121676-276-7141699-58-31-Boc-3-Methanesulfonyloxyazetidinetert-Butyl 3-[(methylsulfonyl)oxy]-1-azetanecarboxylate1-(TERT-BUTOXYCARBONYL)-3-(METHANESULFONYLOXY)AZETIDINEMFCD05664832Tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylateC9H17NO5SN-Boc-3-methanesulfonyloxyazetidinetert-butyl 3-((methylsulfonyl)oxy)azetidine-1-carboxylate
Show more names
1-Boc-3-(mesyloxy)azetidine1-Boc-3-methanesulfonyloxy-azetidineN-Boc 3-(Methylsulfonyloxy)azetidine1-N-BOC-3-METHANESULFONYLOXYAZETIDINE1-(tert-Butoxycarbonyl)-3-(mesyloxy)azetidine1-(tert-butoxycarbonyl)azetidine-3-yl-methanesulfonatetert-Butyl 3-[(methylsulfonyl)oxy]azetane-1-carboxylate
tert-butyl 3-[(methylsulfonyl)oxy]azetidine-1-carboxylateAKOS005069292PB15811B5801EN300-652141-t-butoxycarbonyl-3-(methanesulfonyloxy)azetidinet-butyl 3-[(methylsulfonyl)oxy]azetidine-1-carboxylatetert-butyl 3-[(methylsulfonyl)oxy]-1-azetidinecarboxylate
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 378.5 · 378.5±31.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -4.18 · -4.18±0.40(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-5-7(6-10)15-16(4,12)13/h7H,5-6H2,1-4H3
- InChIKey
- XXBDTKYKFFIAEY-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC(OS(C)(=O)=O)C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+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
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (75%)
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
常州帝通化工有限公司
Related reactions
93 records
Compound notes
Loading…