CAS 63762-79-8 Phenol, 2-fluoro-5-methyl- (HCID 182387)

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Basic information

CAS: 63762-79-8
Standard SMILES: Cc1ccc(F)c(O)c1
InChIKey: XEHPMVZYZDQLDN-UHFFFAOYSA-N
Molecular formula: C7H7FO
Average molar mass: 126.13 g/mol
Monoisotopic mass: 126.04809306

Names & identifiers

Preferred name: Phenol, 2-fluoro-5-methyl-
IUPAC: 2-fluoro-5-methylphenol
English name: 2-Fluoro-5-methylphenol
Molecular formula: C7H7FO
Molecular weight: 126.13

Names & synonyms

2-Fluoro-5-methylphenol63762-79-8phenol, 2-fluoro-5-methyl-6-Fluoo-m-cresolDTXSID10213205RefChem:860846DTXCID70135696627-556-26-Fluoro-m-cresol2-fluoro-5-methyl-phenol4-Fluoro-3-hydroxytolueneMFCD00190101

Show more names

BUTTPARK 13\03-06Fluoromethylphenol12-fluoro-5-methylphe6-Fluoro-m-methylphenol2-Fluoro-5-methylphenol98%2-Fluoro-5-methylphenol 98%

2-fluoro-5-methyl phenolSCHEMBL12127CS-W008056PS-9180Z3849707342-fluoranyl-5-methyl-phenol3-HYDROXY-4-FLUOROTOLUENE4-Fluoro-3-hy

Database identifiers

CAS: 63762-79-8
PubChem CID: 182387
DTXSID: DTXSID10213205
EC Number: 627-556-2
Nikkaji: J1.823.333I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 32 °C · 32 °C
Boiling point: 173 °C · 173 °C(lit.)
Density: 1.155 g/mL · 1.155 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.511(lit.)
Flash point: 153 °F · 153 °F
storage temp.: Inert atmosphere,Room Temperature
form: liquid
pka: 8.82 · 8.82±0.10(Predicted)
color: Clear, colourless
Specific Gravity: 1.155 · 1.155
BRN: 2433017 · 2433017
InChI: InChI=1S/C7H7FO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChIKey: XEHPMVZYZDQLDN-UHFFFAOYSA-N
SMILES: C1(O)=CC(C)=CC=C1F
CAS DataBase Reference: 63762 · 63762-79-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (89.1%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.