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3-(Prop-2-en-1-yl)azetidine; trifluoroacetic acid

HCID 178790147
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Basic information

CAS
1630906-83-0
Standard SMILES
C=CCC1CNC1.O=C(O)C(F)(F)F
InChIKey
VQWLDBPVYSBGKF-UHFFFAOYSA-N
Molecular formula
C8H12F3NO2
Average molar mass
211.18 g/mol

Names & identifiers

Preferred name
3-(Prop-2-en-1-yl)azetidine; trifluoroacetic acid
IUPAC
3-prop-2-enylazetidine;2,2,2-trifluoroacetic acid
English name
3-allylazetidine TFA
Molecular formula
C8H12F3NO2
Molecular weight
211.18

Names & synonyms

1630906-83-03-Allylazetidine 2,2,2-trifluoroacetate3-(prop-2-en-1-yl)azetidine; trifluoroacetic acid3-(Prop-2-en-1-yl)azetidine trifluoroacetateMFCD281663043-prop-2-enylazetidine;2,2,2-trifluoroacetic acidAzetidine, 3-(2-propen-1-yl)-, 2,2,2-trifluoroacetate (1:1)3-(Prop-2-en-1-yl)azetidine trifluoroacetic acid salt3-allylazetidine TFASCHEMBL294180713-Allylazetidine TrifluoroacetateAKOS025289720
Show more names
3-(prop-2-en-1-yl)azetidine3-(prop-2-en-1-yl)azetidine: trifluoroacetic acid
SB510103-Allylazetidine2,2,2-trifluoroacetateAS-52215SY0991893-allylazetidine;2,2,2-trifluoroacetic acidCS-0051668P145943-(Prop-2-en-1-yl)azetidine trifluoroacetic acid

Database identifiers

CAS
1630906-83-0

Properties

Computed structural propertiesFilling in

Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
148

Physicochemical properties

storage temp.
0 · Store at 0-8 °C
Appearance
brown liquid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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.

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

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Compound notes

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