4-Fluoro-2-methylphenol (HCID 136295)

Names & identifiers

Preferred name: 4-Fluoro-2-methylphenol
IUPAC: 4-fluoro-2-methylphenol
English name: 4-Fluoro-2-methylphenol
Molecular formula: C7H7FO
Molecular weight: 126.13

Names & synonyms

4-Fluoro-2-methylphenol452-72-2NSC 10340GKQDDKKGDIVDAG-UHFFFAOYSA-DTXSID90196426RefChem:98961DTXCID00118917624-166-4GKQDDKKGDIVDAG-UHFFFAOYSA-NInChI=1/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H32-methyl-4-fluorophenol4-Fluoro-O-cresol

Show more names

4-Fluoro-2-methylphe4-Fluoro-o-cresol>4-Fluoro-o-methylphenol4-Fuoro-2-Methyl-phenol5-Fluoro-2-hydroxytoluene4-Fluoro-2-methylphenol99%

MFCD000750884-fluoro-2-methyl-phenol4-Fluoro-2-methylphenol, 99%CCG-302499F0387Z384970672MWMPhenol, 4-fluoro-2-methyl-

Database identifiers

CAS: 452-72-2
PubChem CID: 136295
DTXSID: DTXSID90196426
ChEMBL: CHEMBL224550
EC Number: 624-166-4
Nikkaji: J790.414B

Properties

Computed structural properties

XLogP: 1.4
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: 37 · 37-38 °C (lit.)
Boiling point: 87 °C/14 · 87 °C/14 mmHg (lit.)
Density: 1.1514 · 1.1514 (estimate)
refractive index: 1.5155 · 1.5155-1.5175
Flash point: 185 °F · 185 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 10.32 · 10.32±0.18(Predicted)
form: Low Melting Solid or Liquid
color: Off-white to brownish
Water Solubility: Insoluble in water.
BRN: 2041490 · 2041490
Major Application: environmental
InChI: InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey: GKQDDKKGDIVDAG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C=C1C
CAS DataBase Reference: 452 · 452-72-2(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
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-21/22
Safety Statements: 26 · 26-36/37/39
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 29081990 · 29081990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 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 CategoriesAcute Tox. 4 (14.3%)

Safety data

wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29081990
risk_code: 36/37/38-21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids
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

Uses4-Fluoro-2-methylphenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

General DescriptionLaccase mediated grafting of 4-fluoro-2-methylphenol with lignin model compound, dibenzodioxocin and lignocellulose material has been investigated.