CAS 105728-90-3 2-Fluoro-5-methoxybenzaldehyde (HCID 2734872)

Names & identifiers

Preferred name: 2-Fluoro-5-methoxybenzaldehyde
IUPAC: 2-fluoro-5-methoxybenzaldehyde
English name: 2-Fluoro-5-methoxybenzaldehyde
Molecular formula: C8H7FO2
Molecular weight: 154.14

Names & synonyms

2-Fluoro-5-methoxybenzaldehyde105728-90-3DTXSID70370545RefChem:87101DTXCID00321580600-676-26-Fluoro-m-anisaldehydeMFCD000707952-fluoro-5-methoxy-benzaldehydeSCHEMBL3871862-fluoro-5-(methyloxy)benzaldehydeCL8283

Show more names

uoro-5-methoxybenzaLFluoro-5-Methoxybenzaldeh6-Fluoro-m-anisaldehyde>2-FLUORO-5ETHOXYBENZALDEHYDE1-tert-butoxycarb-3-pyrrolidoneBenzaldehyde,2-fluoro-5-methoxy-2-Fluoro-5-methoxybenzaldehyde98%2-Fluoro-5-methoxybenzaldehyde 98%

AC-3839DS-12023Z1203161971Benzaldehyde, 2-fluoro-5-methoxy-2-Fluoro-5-methoxy benzaldehydeAM612742-Fluoro-5-methoxy benzaldSCHEMBL6212996

Database identifiers

CAS: 105728-90-3
PubChem CID: 2734872
DTXSID: DTXSID70370545
EC Number: 600-676-2
Nikkaji: J1.641.193K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 48 · 48-50 °C
Boiling point: 229 · 229-230 °C (lit.)
Density: 1.237 g/mL · 1.237 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 226 °F · 226 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to lump to clear liquid
color: White or Colorless to Yellow
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
BRN: 4379088 · 4379088
InChI: InChI=1S/C8H7FO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChIKey: DKIQXHIAEMGZGO-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=CC=C1F
CAS DataBase Reference: 105728 · 105728-90-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29130000 · 29130000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 50 reports by companies from 8 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

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29130000
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Fluoro-5-methoxybenzaldehyde may be used in the synthesis of:5,10,15,20-tetrakis(2-fluoro-5-methoxyphenyl)porphyrinaryl(2-fluoro-5-methoxyphenyl)methanones5′-methoxy-4-nitro-2,2′,5-trifluorobenzophenone2-(2-fluoro-5-methoxybenzylidene)-1-(5-bromo-2-morpholinopyrimidin-4-yl) hydrazine

General Description2-Fluoro-5-methoxybenzaldehyde can be prepared starting from 2-amino-5-methoxytoluene.