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Product No: BC8576

6,6-difluoro-3-azabicyclo[3.1.0]hexane hydrochloride, 95%

Name: 6,6-difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
Brand: Chempure

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CAS Number

1215071-13-8

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IUPAC name	6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
canonical smiles	C1C2C(C2(F)F)CN1.Cl
inchi	InChI=1S/C5H7F2N.ClH/c6-5(7)3-1-8-2-4(3)5;/h3-4,8H,1-2H2;1H
inchi key	BVCCCDHBLPVHFK-UHFFFAOYSA-N
molecular formula	C5H8ClF2N
synonyms	6,6-difluoro-3-azabicyclo[3.1.0]hexane hydrochloride 1215071-13-8 6,6-Difluoro-3-azabicyclo[3.1.0]hexane HCl MFCD16039587 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride

Computed Properties

Molecular Weight:	155.57 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	155.0313333 g/mol
Monoisotopic Mass:	155.0313333 g/mol
Topological Polar Surface Area:	12 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	112
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane

6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

6-Endo-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

6,6-Difluoro-3-azabicyclo[3.1.0]hexane

6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride

1-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

(1R,5S,6r)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane

3-Azabicyclo[3.1.0]hexane hydrochloride

1-Fluoro-3-azabicyclo[3.1.0]hexane hydrochloride

2-Fluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

6-Fluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

1-Fluoro-3-azabicyclo[3.1.0]hexane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
canonical smiles	C1C2C(C2(F)F)CN1.Cl
inchi	InChI=1S/C5H7F2N.ClH/c6-5(7)3-1-8-2-4(3)5;/h3-4,8H,1-2H2;1H
inchi key	BVCCCDHBLPVHFK-UHFFFAOYSA-N
molecular formula	C5H8ClF2N
synonyms	6,6-difluoro-3-azabicyclo[3.1.0]hexane hydrochloride 1215071-13-8 6,6-Difluoro-3-azabicyclo[3.1.0]hexane HCl MFCD16039587 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride

Computed Properties

Molecular Weight:	155.57 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	155.0313333 g/mol
Monoisotopic Mass:	155.0313333 g/mol
Topological Polar Surface Area:	12 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	112
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane

6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

6-Endo-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

6,6-Difluoro-3-azabicyclo[3.1.0]hexane

6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride

1-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

(1R,5S,6r)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane

3-Azabicyclo[3.1.0]hexane hydrochloride

1-Fluoro-3-azabicyclo[3.1.0]hexane hydrochloride

2-Fluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

6-Fluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

1-Fluoro-3-azabicyclo[3.1.0]hexane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BC8576

6,6-difluoro-3-azabicyclo[3.1.0]hexane hydrochloride, 95%

Product No: BC8576

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BC8576

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?