1-fluoro-4-methylbenzene

• ChemBase ID: 8896
• Molecular Formular: C7H7F
• Molecular Mass: 110.1288832
• Monoisotopic Mass: 110.05317844
• SMILES: c1c(ccc(c1)C)F
• Canonical SMILES: Cc1ccc(cc1)F
• InChI: InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
• InChIKey: WRWPPGUCZBJXKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-methylbenzene
• IUPAC Traditional name: P-fluorotoluene
• Synonyms: 4-Fluorotoluene; p-FLUOROTOLUENE; 4-Fluorotoluene; 1-Fluoro-4-methylbenzene; 4-Fluorotoluene 98%; 1-fluoro-4-methylbenzene; 对氟甲苯; 4-氟甲苯

Database IDs

• CAS Number: 352-32-9
• EC Number: 206-520-6
• MDL Number: MFCD00000358
• Beilstein Number: 1362373
• Merck Index: 144180
• PubChem SID: 24894781; 160972203
• PubChem CID: 9603

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6293693
• LogD (pH = 7.4): 2.6293693
• Log P: 2.6293693
• Molar Refractivity: 31.3156 cm^3
• Polarizability: 11.740636 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -56 °C(lit.); -56°C; -56°C; -57 - -56°C
• Boiling Point: 115-116°C; 115-117°C; 116 °C(lit.); 116°C
• Flash Point: 10 °C; 10°C; 10°C(50°F); 50 °F
• Density: 1; 1 g/mL at 25 °C(lit.); 1.000; 1.001
• Refractive Index: 1.468; 1.4680; 1.4685; n20/D 1.468(lit.)
• Hydrophobicity(logP): 2.784

Safety Information

• Storage Warning: Highly Flammable/Irritant; IRRITANT, FLAMMABLE
• RTECS: XT2580000
• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 2388; UN2388
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22; 11-37
• Safety Statements: 16-23; 7-16-36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H315-H319-H332; H225-H335
• GHS Precautionary statements: P210-P261; P210-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2388 3/PG 2

Product Information

• Purity: 95%; 97%; 99%
• Linear Formula: CH3C6H4F

DETAILS

MP Biomedicals - 05209858

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F15331

Packaging
100 g in glass bottle