2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde - CAS 119895-68-0

Name: 2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004678
Product Name:	2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde
CAS:	119895-68-0
Synonyms:	2,2-difluoro-1,3-benzodioxole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
Description:	2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde (CAS# 119895-68-0) is a useful research chemical.
Molecular Weight:	158.10
Molecular Formula:	C7H4F2O2
Canonical SMILES:	C1=CC(=C2C(=C1)OC(O2)(F)F)C=O
InChI:	InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
InChI Key:	NIBFJPXGNVPNHK-UHFFFAOYSA-N
Boiling Point:	210.6 °C at 760 mmHg
Density:	1.5 g/cm³
Appearance:	Liquid
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD00792419
LogP:	1.82060

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[672-45-7]C5H3F3N2O2
6-(Trifluoromethyl)uracil
[1011349-32-8]C7H11N3OS
6-Amino-1-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

GHS Hazard Statement:	H315 (21.89%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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PMID	Publication Date	Title	Journal
22807282	20120827	Sulfonyl fluoride-based prosthetic compounds as potential 18F labelling agents	Chemistry (Weinheim an der Bergstrasse, Germany)
21578142	20091023	catena-Poly[[(4-formyl-benzoato-κO)(isonicotinamide-κN)zinc(II)]-μ-4-formyl-benzoato-κO:O]	Acta crystallographica. Section E, Structure reports online
21581901	20090110	N-[4-(β-d-Allopyranos-yloxy)benzyl-idene]methyl-amine	Acta crystallographica. Section E, Structure reports online
17929872	20071109	Synthesis of 4-formyl estrone using a positional protecting group and its conversion to other C-4-substituted estrogens	The Journal of organic chemistry
15797123	20050502	Bicyclic nucleoside analogues from D-glucose: synthesis of chiral as well as racemic 1,4-dioxepane ring-fused derivatives	Carbohydrate research

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.01285031
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.01285031
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2