2,3,5,6-Tetrafluorobenzaldehyde

2,3,5,6-Tetrafluorobenzaldehyd · 2,3,5,6-TETRAFLUOROBENZALDEHYDE · Benzaldehyde, 2,3,5,6-tetrafluoro- · 2,3,5,6-Tetrafluorobenzaldehyde,97% · 2,3,5,6-Tetrafluorobenzaldehyde, 97% 1GR · 2,3,5,6-tetrafluorobenzenemethylaldehyde · 2,3,5,6-TETRAFLUOROBENZALDEHYDE ISO 9001：2015 REACH

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2,3,5,6-Tetrafluorobenzaldehyde molecular structure

Identifiers & Physical Properties

CAS No.	19842-76-3
Molecular formula	C7H2F4O
Average molar mass	178.08 g/mol
Monoisotopic mass	178.00417756 g/mol
SMILES	O=Cc1c(F)c(F)cc(F)c1F
InChIKey	YIRYOMXPMOLQSO-UHFFFAOYSA-N
PubChem CID	601331
EC No.	626-553-3
DTXSID	DTXSID50345039

Chemical & Physical Properties

XLogP	1.9
Topological polar surface area	17.1
Hydrogen bond donors	0
Hydrogen bond acceptors	5
Rotatable bonds	1
Heavy atoms	12
Formal charge	0
Complexity	161
Boiling point	178 °C (lit.)
Density	1.525 g/mL at 25 °C (lit.)
Refractive index	n20/D 1.469(lit.)
Flash point	165 °F
Storage conditions	Inert atmosphere,Room Temperature
Physical state	clear liquid
Color	Colorless to Light orange to Yellow
Specific gravity	1.525
InChI	1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H
InChIKey	YIRYOMXPMOLQSO-UHFFFAOYSA-N
SMILES	Fc1cc(F)c(F)c(C=O)c1F
CAS DataBase Reference	19842-76-3(CAS DataBase Reference)
UNSPSC Code	12352100
NACRES	NA.22
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338
Target organs	Respiratory system
Personal protective equipment (PPE)	Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36/37/39
Water hazard class (WGK)	3
Hazard Note	Irritant
Hazard class	IRRITANT, AIR SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3
Customs code	29130000
Storage class	10 - Combustible liquids

Safety & Regulations

GHS classification	WarningH315 (100%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Personal protective equipment (PPE)	Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)	3
Customs code	29130000
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
hazard_note	Irritant
Safety statements (S)	26-36/37/39
Hazard class	IRRITANT, AIR SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3
Storage class	10 - Combustible liquids
Target organs	Respiratory system
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338

Applications & Uses

Uses

2,3,5,6-Tetrafluorobenzaldehyde was used in the preparation of 1,3-bis(2,4,6-trimethylphenyl)-2-(2,3,5,6-tetrafluorophenyl)imidazolidine and 1,3-dimethyl-2-(2,3,5,6-tetrafluorophenyl)imidazolidine.

General Description

2,3,5,6-Tetrafluorobenzaldehyde is a polysubstituted benzaldehyde and was evaluated as a substrate of PmHNL (Prunus mume hydroxynitrile lyase). Reaction of 2,3,5,6-tetrafluorobenzaldehyde with dipyrromethane was reported.