3-Fluoro-4-hydroxybenzaldehyde

HCID 587250
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Substructure searchFind similar structures

Basic information

CAS
405-05-0
Standard SMILES
O=Cc1ccc(O)c(F)c1
InChIKey
QSBHJTCAPWOIIE-UHFFFAOYSA-N
Molecular formula
C7H5FO2
Average molar mass
140.11 g/mol
Monoisotopic mass
140.02735762

Names & identifiers

Preferred name
3-Fluoro-4-hydroxybenzaldehyde
IUPAC
3-fluoro-4-hydroxybenzaldehyde
English name
3-Fluoro-4-hydroxybenzaldehyde
Molecular formula
C7H5FO2
Molecular weight
140.11

Names & synonyms

3-Fluoro-4-hydroxybenzaldehyde405-05-0Benzaldehyde, 3-fluoro-4-hydroxy-DTXSID00343080RefChem:93910DTXCID60294160609-839-2QSBHJTCAPWOIIE-UHFFFAOYSA-N3-Fluoro-4-hydroxy-benzaldehydeMFCD00016626SCHEMBL219109CL8326
Show more names
uoro-4-hydroxybenzaL2-Fluoro-4-formylphenol3-Fluoro-4-hydroxybenzaldehyde>Benzaldehyde, 3-fluoro-4-hydroxy-3-Fluoro-4-hydroxybenzaldehyde ,98%
AKOS005171591PS-9055AC-151423-Fluoro-4-hydroxybenzaldehyde, AldrichCPRF0725EN300-492784-hydroxy-3-fluorobenzaldehydeAM20040423

Database identifiers

CAS
405-05-0
PubChem CID
587250
DTXSID
DTXSID00343080
EC Number
609-839-2
Nikkaji
J1.843.957C

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
121 · 121-124°C
Boiling point
225.6 · 225.6±20.0 °C(Predicted)
Density
1.471 · 1.4710 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
powder to crystal
pka
6.52 · 6.52±0.18(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
WGK 3
hs_code
29145090
risk_code
36/37/38-52-41-37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses3-Fluoro-4-hydroxybenzaldehyde can be used to synthesize 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid, which is an impurity and intermediate in the preparation of Roflumilast.

Uses3-Fluoro-4-hydroxybenzaldehyde can be used to synthesize 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid (C988720), which is an impurity and intermediate in the preparation of Roflumilast (R639700).

Upstream & downstream products

Suppliers100 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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Related reactions

81 records
New reaction record

Compound notes

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