3,3-Difluoroazetidine hydrochloride

HCID 2758247CAS 288315-03-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.FC1(F)CNC1
InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYSA-N
Molecular formula: C3H6ClF2N
Average molar mass: 129.53 g/mol
Monoisotopic mass: 129.01568331

Names & identifiers

Preferred name: 3,3-Difluoroazetidine hydrochloride
IUPAC: 3,3-difluoroazetidine;hydrochloride
English name: 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE
Molecular formula: C3H6ClF2N
Molecular weight: 129.53

Names & synonyms

3,3-Difluoroazetidine hydrochloride288315-03-7DTXSID00374238RefChem:270276DTXCID40325269621-190-73,3-DIFLUOROAZETIDINE HCL3,3-difluoroazetidine;hydrochlorideMFCD05663714Azetidine, 3,3-difluoro-, hydrochloride (1:1)3,3-DIFLUOROAZETIDINEHYDROCHLORIDE3,3-difluoroazetidine hydrochloric acid salt

Show more names

3,3-difluoroazetidine3,3-Difluoroazetidine, HC3,3-Difluoroazetidine hyd...3,3-Difluorazetidin hydrochlorid3,3-Difluoroaztidine hydrochloride3,3-Difluorazetidinhydrochlorid(1:1)3,3-Difluoroazetidine hydrochloride 97%3,3-difluoro-Azetidine hydrochloride (1:1)

3,3-difluoro azetidine hydrochloride3,3-Difluoroazetidine (hydrochloride)AKOS005063365CS-W0012143,3-difluoroazetidine hydrochloric acidTS-017013,3-difluoroazetidine hydrogen chloride saltAzetidine, 3,3-difluoro-, hydrochloride

Database identifiers

CAS: 288315-03-7
PubChem CID: 2758247
DTXSID: DTXSID00374238
EC Number: 621-190-7

Properties

Computed structural properties

Topological polar surface area: 12 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 55.8

Physicochemical properties

Melting point: 138 · 138-143 °C
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Water (Slightly)
form: Solid
color: Off-White to Light Yellow
Sensitive: Hygroscopic
InChI: InChI=1S/C3H5F2N.ClH/c4-3(5)1-6-2-3;/h6H,1-2H2;1H
InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYSA-N
SMILES: FC1(CNC1)F.Cl
CAS DataBase Reference: 288315 · 288315-03-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.