2-Phenylazetidine
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Basic information
- CAS
22610-18-0- Standard SMILES
c1ccc(C2CCN2)cc1- InChIKey
CLNGGMJEJSANIE-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914936
Names & identifiers
- Preferred name
- 2-Phenylazetidine
- IUPAC
- 2-phenylazetidine
- English name
- 2-Phenylazetidine
- Molecular formula
- C9H11N
- Molecular weight
- 133.19
Names & synonyms
2-Phenylazetidine22610-18-0Azetidine, 2-phenyl-DTXSID90340982RefChem:89060DTXCID40292063696-404-5CLNGGMJEJSANIE-UHFFFAOYSA-NMFCD06217591Azetidine, 2-phenyl-, (2S)-2-Phenyl-azetidinerac-2-phenylazetidine
Show more names
2-Phenylazetidine HCl2-phenylazacyclobutane2-phenylazetidine - [P85373]2-phenylazetidine hydrochloride2-phenylazetidine(SALTDATA: FREE)2-Phenylazetidine ISO 9001：2015 REACH
2-Phenylazetidine, AldrichCPRSCHEMBL1413442SCHEMBL1749974SCHEMBL4004287AKOS005218362SB50777BS-13252SY173805
Database identifiers
- CAS
22610-18-0- PubChem CID
- 568971
- DTXSID
DTXSID90340982- EC Number
- 696-404-5
- Nikkaji
- J83.201D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 76 · 76-78 °C(Press: 2.5 Torr)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.44 · 10.44±0.40(Predicted)
- Appearance
- Colorless to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (25%)；Skin Corr. 1B (75%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Phenylazetidine Hydrochloride is a salt analog of 2-Phenylazetidine (CAS# 22610-18-0), which can be useful in the preparation of dihydropyrazoles as mono-kinase-selective oral RIP1 kinase inhibitors.
Suppliers
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Related reactions
12 records
Compound notes
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