CAS 63082-45-1 4-Fluoro-2-methylbenzaldehyde (HCID 2783217)

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Basic information

CAS: 63082-45-1
Standard SMILES: Cc1cc(F)ccc1C=O
InChIKey: ADCFIKGEGWFWEA-UHFFFAOYSA-N
Molecular formula: C8H7FO
Average molar mass: 138.14 g/mol
Monoisotopic mass: 138.04809306

Names & identifiers

Preferred name: 4-Fluoro-2-methylbenzaldehyde
IUPAC: 4-fluoro-2-methylbenzaldehyde
English name: 4-Fluoro-2-methylbenzaldehyde
Molecular formula: C8H7FO
Molecular weight: 138.14

Names & synonyms

4-Fluoro-2-methylbenzaldehyde63082-45-1DTXSID60382516RefChem:292782DTXCID40333541625-943-0MFCD022617644-fluoro-2-methyl-benzaldehyde4-Fluoro-o-tolualdehyde2-methyl-4-fluorobenzaldehydeBENZALDEHYDE, 4-FLUORO-2-METHYL-SCHEMBL1350147

Show more names

5-Fluoro-2-formyltoluene4-Fluoro-2-methylbenzaldehyde>4-Fluoro-2-methylbenzaldehyde 97%Benzaldehyde, 4-fluoro-2-methyl- (9CI)5-Fluoro-2-formyltoluene, 4-Fluoro-o-tolualdehyde

2-Methyl-4-fluoro-benzaldehydeSCHEMBL21201386SBB0521574-Fluoro-2-methylbenzaldehyde, 97%AKOS009159149CS-W002936FF40254PS-9086

Database identifiers

CAS: 63082-45-1
PubChem CID: 2783217
DTXSID: DTXSID60382516
EC Number: 625-943-0
Nikkaji: J2.548.151H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 87 · 87 14mm
Density: 1.144 g/mL · 1.144 g/mL at 25 °C
refractive index: 1.526 · 1.5260
Flash point: 82 °C · 82 °C
storage temp.: 2 · Inert atmosphere,2-8°C
form: clear liquid
color: Colorless to Almost colorless
Sensitive: Air Sensitive
InChI: 1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKey: ADCFIKGEGWFWEA-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(F)cc1C
CAS DataBase Reference: 63082 · 63082-45-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.