2,6-Difluorobenzaldehyde

HCID 136284CAS 437-81-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1c(F)cccc1F
InChIKey
SOWRUJSGHKNOKN-UHFFFAOYSA-N
Molecular formula
C7H4F2O
Average molar mass
142.1 g/mol
Monoisotopic mass
142.02302107

Names & identifiers

Preferred name
2,6-Difluorobenzaldehyde
IUPAC
2,6-difluorobenzaldehyde
English name
2,6-Difluorobenzaldehyde
Molecular formula
C7H4F2O
Molecular weight
142.1

Names & synonyms

2,6-Difluorobenzaldehyde437-81-0DTXSID40195909RefChem:83227DTXCID30118400610-142-0SOWRUJSGHKNOKN-UHFFFAOYSA-N2,6-difluoro benzaldehydeMFCD00010293Benzaldehyde, 2,6-difluoro-2,6-dfad2,6-DIFLUOROBENZALEDEHYDE
Show more names
TIMTEC-BB SBB0066852,6-Difluorobenzalde2-6-Difluorbenzaldehyd2,6-fluorobenzaldehyde2,6-DIFLUORLOBENZALDEHYDE2,12-Difluoroacetophenone2,6-Difluorobenzaldehyde98%2,6-Difluorobenzaldehyde>
2,6-difluorbenzaldehyde2,6 difluorobenzaldehyde2.6-difluorobenzaldehydeKZG3V2A6HW2, 6-difluorobenzaldehyde2,6-difluoro-benzaldehyde2,6-difluorobenzenaldehyde2,6-difluoro -benzaldehyde

Database identifiers

CAS
437-81-0
PubChem CID
136284
DTXSID
DTXSID40195909
UNII
KZG3V2A6HW
EC Number
610-142-0
Nikkaji
J796.629F

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
15 · 15-17 °C (lit.)
Boiling point
82 · 82-84 °C/15 mmHg (lit.)
Density
1.317 g/mL · 1.317 g/mL at 25 °C (lit.)
vapor pressure
40.1 · 40.1-900hPa at 94.5-189℃
refractive index
20 · n20/D 1.502(lit.)
Flash point
164 °F · 164 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 2,6-difluoro-

Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390

Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)；Eye Irrit. 2A (94.2%)；STOT SE 3 (92.3%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 2,6-difluoro-

Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390

Safety data

F
10-23
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
hs_code
29130000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 1 item

Uses2,6-Difluorobenzaldehyde can be used as a reactant to synthesize: 5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea. 1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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Linked notes

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