2,3-Difluorobenzaldehyde

HCID 137664CAS 2646-91-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cccc(F)c1F
InChIKey
WDBAXYQUOZDFOJ-UHFFFAOYSA-N
Molecular formula
C7H4F2O
Average molar mass
142.1 g/mol
Monoisotopic mass
142.02302107

Names & identifiers

Preferred name
2,3-Difluorobenzaldehyde
IUPAC
2,3-difluorobenzaldehyde
English name
2,3-Difluorobenzaldehyde
Molecular formula
C7H4F2O
Molecular weight
142.1

Names & synonyms

2,3-Difluorobenzaldehyde2646-91-5WDBAXYQUOZDFOJ-UHFFFAOYSA-DTXSID90181059RefChem:81642DTXCID50103550607-944-8InChI=1/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4HWDBAXYQUOZDFOJ-UHFFFAOYSA-NBENZALDEHYDE, 2,3-DIFLUORO-MFCD000102922,3-difluoro-benzaldehyde
Show more names
TIMTEC-BB SBB0065722,3-Difluorobenzalde2,3-fluorobenzaldehyde2,5-DIFLUOROBENALDEHYDE2,3-Difluorobenzaldehyde>Benzaldehyde, 2,3-difluoro-2,3-Difluorobenzaldehyde 98%2,3-Difluorobenzaldehyde,98%2,3- twofluorobenzeneforMaldehyde
difluoro-benzaldehyde2,3 Difluorobenzaldehyde2,3-difluoro benzaldehydeSCHEMBL154794SCHEMBL357469SCHEMBL15067803SCHEMBL15067920SCHEMBL16395363

Database identifiers

CAS
2646-91-5
PubChem CID
137664
DTXSID
DTXSID90181059
EC Number
607-944-8
Nikkaji
J829.243D

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
64 · 64-65 °C
Boiling point
64 · 64-65 °C/17 mmHg (lit.)
Density
1.301 g/mL · 1.301 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.499(lit.)
Flash point
137 °F · 137 °F
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 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

Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1989 3/PG 3
hs_code
29130000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses2,3-Difluorobenzaldehyde was used in the synthesis of aminophosphine.

General DescriptionThe emission and absorption spectra of 2,3-difluorobenzaldehyde were studied.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

57 records
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Linked notes

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