CAS 886762-64-7 2-Fluoro-3-methylbenzaldehyde (HCID 2783142)

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Basic information

CAS: 886762-64-7
Standard SMILES: Cc1cccc(C=O)c1F
InChIKey: CERGYJCALDGESV-UHFFFAOYSA-N
Molecular formula: C8H7FO
Average molar mass: 138.14 g/mol
Monoisotopic mass: 138.04809306

Names & identifiers

Preferred name: 2-Fluoro-3-methylbenzaldehyde
IUPAC: 2-fluoro-3-methylbenzaldehyde
English name: 2-Fluoro-3-methylbenzaldehyde
Molecular formula: C8H7FO
Molecular weight: 138.14

Names & synonyms

2-fluoro-3-methylbenzaldehyde886762-64-7DTXSID80382457RefChem:87056DTXCID60333482809-970-73-Methyl-2-fluorobenzaldehydeMFCD06797948Benzaldehyde,2-fluoro-3-methyl-methyl 2-fluorobenzaldehydeSCHEMBL11451272-Fluoro-3-methylbenzaldehyde, 90%

Show more names

2-Fluoro3-Methybenzaldehyde2-Fluoro-m-tolualdehyde, 2-Fluoro-3-formyltoluene

AKOS0050638552-fluoro-3-methyl-benzaldehydeBenzaldehyde, 2-fluoro-3-methyl-SCHEMBL1145126SBB064504FF70655PS-9083SY023676

Database identifiers

CAS: 886762-64-7
PubChem CID: 2783142
DTXSID: DTXSID80382457
EC Number: 809-970-7

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: 197 ℃ · 197℃
Density: 1.136 · 1.136
Flash point: 79 ℃ · 79℃
storage temp.: 2 · 2-8°C, stored under nitrogen
form: liquid
color: Light yellow
InChI: InChI=1S/C8H7FO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKey: CERGYJCALDGESV-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(C)=C1F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2913000090 · 2913000090

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.