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Product No: AA4488

2,2-Difluoro-1,3-benzodioxole, 98%

Name: 2,2-Difluoro-1,3-benzodioxole
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1583-59-1

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About this item

IUPAC name	2,2-difluoro-1,3-benzodioxole
canonical smiles	C1=CC=C2C(=C1)OC(O2)(F)F
inchi	InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
inchi key	DGCOGZQDAXUUBY-UHFFFAOYSA-N
molecular formula	C7H4F2O2
synonyms	2,2-Difluoro-1,3-benzodioxole 1583-59-1 2,2-difluorobenzo[d][1,3]dioxole 2,2-Difluorobenzodioxole 1,3-Benzodioxole, 2,2-difluoro-

Computed Properties

Molecular Weight:	158.10 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	158.01793569 g/mol
Monoisotopic Mass:	158.01793569 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	145
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzofuran

Quinoline

Benzothiazole

Indene

1H-Benzotriazole

2-Methylquinoline

Chlorquinaldol

2-(Methylthio)benzothiazole

1-Phenoxy-2-propanol

Quinoxaline

2-Methylbenzothiazole

5-Methylquinoxaline

2-Methylbenzoxazole

2,6-Dimethylquinoline

8-Methylquinoline

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (66.96%) Skin Irrit. 2 (99.13%) Eye Irrit. 2A (41.74%) STOT SE 3 (75.65%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (66.96%): Flammable liquid and vapor [Warning Flammable liquids] H315 (99.13%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (41.74%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75.65%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

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	2,2-difluoro-1,3-benzodioxole
canonical smiles	C1=CC=C2C(=C1)OC(O2)(F)F
inchi	InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
inchi key	DGCOGZQDAXUUBY-UHFFFAOYSA-N
molecular formula	C7H4F2O2
synonyms	2,2-Difluoro-1,3-benzodioxole 1583-59-1 2,2-difluorobenzo[d][1,3]dioxole 2,2-Difluorobenzodioxole 1,3-Benzodioxole, 2,2-difluoro-

Computed Properties

Molecular Weight:	158.10 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	158.01793569 g/mol
Monoisotopic Mass:	158.01793569 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	145
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzofuran

Quinoline

Benzothiazole

Indene

1H-Benzotriazole

2-Methylquinoline

Chlorquinaldol

2-(Methylthio)benzothiazole

1-Phenoxy-2-propanol

Quinoxaline

2-Methylbenzothiazole

5-Methylquinoxaline

2-Methylbenzoxazole

2,6-Dimethylquinoline

8-Methylquinoline

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (66.96%) Skin Irrit. 2 (99.13%) Eye Irrit. 2A (41.74%) STOT SE 3 (75.65%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (66.96%): Flammable liquid and vapor [Warning Flammable liquids] H315 (99.13%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (41.74%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75.65%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA4488

2,2-Difluoro-1,3-benzodioxole, 98%

Product No: AA4488

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: AA4488

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?