Basic information
- Standard SMILES
C1CNC1- InChIKey
HONIICLYMWZJFZ-UHFFFAOYSA-N- Molecular formula
- C3H7N
- Average molar mass
- 57.09 g/mol
- Monoisotopic mass
- 57.05784922
Overview
Azetidine is a saturated organic heteromonocyclic parent, an azacycloalkane and a member of azetidines.
Names & identifiers
- Preferred name
- Azetidine
- IUPAC
- azetidine
- English name
- Azetidine
- Molecular formula
- C3H7N
- Molecular weight
- 57.09
Names & synonyms
AZETIDINE503-29-7AzacyclobutaneTrimethylenimine1,3-Propylenimine37S883XDWRDTXSID8060117CHEBI:30968RefChem:560501DTXCID7040813207-963-8Trimethylene imine
Show more names
AztidineAZETIDINE 99%Azetidine,98%Azetidine ,95%tetrahydroazete
MFCD00005165Azetidine, L-AcetidineTrimethyleneimineAzete, tetrahydro-Azetidine, 98%AI3-61395AKOS000121515
Database identifiers
- CAS
503-29-7- PubChem CID
- 10422
- DTXSID
DTXSID8060117- ChEMBL
CHEMBL2171713- ChEBI
CHEBI:30968- UNII
- 37S883XDWR
- EC Number
- 207-963-8
- Nikkaji
- J79.636K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 17.2
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Dissociation Constants11.3
Physicochemical properties
- Melting point
- -70 °C · -70°C
- Boiling point
- 61 · 61-62 °C(lit.)
- Density
- 0.847 g/mL · 0.847 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 5 °F · −5 °F
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 11.29 · 11.29(at 25℃)
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- miscible
- Sensitive
- Moisture Sensitive/Air Sensitive
- BRN
- 102384 · 102384
- Henry's Law Constant
- 4.8 · 4.8×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C3H7N/c1-2-4-3-1/h4H,1-3H2
- InChIKey
- HONIICLYMWZJFZ-UHFFFAOYSA-N
- SMILES
- C1CNC1
- CAS DataBase Reference
- 503 · 503-29-7(CAS DataBase Reference)
- FDA UNII
- 37 S883XDWR · 37S883XDWR
- NIST Chemistry Reference
- Azetidine(503-29-7)
- EPA Substance Registry System
- Azetidine (503-29-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-34
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 3 · 3
- F
- 2 · 2-10
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- I
- HS Code
- 29339990 · 29339990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationAzetidine: HSNO Approval: HSR004353 Approved with controls
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 2-10
- PPE
- Faceshields, Gloves, Goggles
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29339990
- risk_code
- 11-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- I
- Hazard statements
- H225-H314
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAzetidine: ACTIVE
Applications
Usessuzuki reaction
UsesAzetidine is involved in a high yielding palladium-catalyzed cross-coupling reaction with aryl bromides. Further, it is used in Ullmann type coupling reaction with iodonitroflourenes. In addition to this, it reacts with bis-(3-amino-propyl)-amine to prepare N,N'-bis-(3-amino-propyl)-propanediyldiamine using palladium as a catalyst.
General DescriptionPhototransformations of azetidine radical cations in freonic matrices under the action of light with λ = 436nm has been investigated. The IR spectrum of azetidine in solid argon matrices has been measured.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: Azetidine is a saturated organic heteromonocyclic parent, a member of azetidines and an azacycloalkane.
Related reactions
762 records
Linked notes
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