2-Fluoro-4-methoxybenzaldehyde

HCID 2734873
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Basic information

CAS
331-64-6
Standard SMILES
COc1ccc(C=O)c(F)c1
InChIKey
UNWQNFJBBWXFBG-UHFFFAOYSA-N
Molecular formula
C8H7FO2
Average molar mass
154.14 g/mol
Monoisotopic mass
154.04300768

Names & identifiers

Preferred name
2-Fluoro-4-methoxybenzaldehyde
IUPAC
2-fluoro-4-methoxybenzaldehyde
English name
2-Fluoro-4-methoxybenzaldehyde
Molecular formula
C8H7FO2
Molecular weight
154.14

Names & synonyms

2-Fluoro-4-methoxybenzaldehyde331-64-6UNWQNFJBBWXFBG-UHFFFAOYSA-DTXSID30370546RefChem:87080DTXCID60321581642-882-5InChI=1/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H32-Fluoro-p-anisaldehyde2-fluoro-4-methoxy-benzaldehydeMFCD002366792-fluoro-4-methoxy benzaldehyde
Show more names
uoro-4-methoxybenzaL2-Fluoro-p-anisaldehyde>2-fluoro-4-methoxybenzaldhyde2-Fluor-4-methoxybenzaldehyde2-fluor0-4-methoxybenzaldehyde2-FLUORO-4-METHYOXYBENZALDEHYDE2-FLUORO-4-METHYLOXYBENZALDEHYDE2-Fluoro-4-methoxybenzaldehyde97%
2-Fluoro-4-methoxybenzaldehyde, 97%Benzaldehyde, 2-fluoro-4-methoxy-2-FLUORO-4-METHOXYBENZALDHYDE2-fluor-4-methoxybenzaldehydSCHEMBL245504SCHEMBL15328170CL8279SBB063771

Database identifiers

CAS
331-64-6
PubChem CID
2734873
DTXSID
DTXSID30370546
EC Number
642-882-5
Nikkaji
J2.390.679A

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
43 · 43-48 °C (lit.)
Boiling point
226.5 · 226.5±20.0 °C(Predicted)
Density
1.192 · 1.192±0.06 g/cm3(Predicted)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (30%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29130000
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Uses2-Fluoro-4-methoxybenzaldehyde may be used in the preparation of:fluorine containing 2,4,5-trisubstituted imidazole1-(2-fluoro-4-methoxyphenyl)-2-propanone6-(2-fluoro-4-methoxyphenyl)fulvene10-(2-fluoro-4-methoxyphenyl)-6,7,9,10-tetrahydro-1Hfuro[3,4-b]pyrazolo[3,4-f]quinolin-9-onepolyhydroquinoline (PHQ)3-(2-fluoro-4-methoxyphenyl) acrylic acid methyl ester

Uses2-Fluoro-4-methoxybenzaldehyde was used in the synthesis of new analogues as inhibitors for phosphodiesterase 10A.

General Description2-Fluoro-4-methoxybenzaldehyde is a fluorinated aromatic aldehyde. It can be prepared from 4-bromo-3-fluoroanisole.

Upstream & downstream products

Suppliers100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

59 records
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Compound notes

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