1-fluoro-3-methylbenzene

• ChemBase ID: 8895
• Molecular Formular: C7H7F
• Molecular Mass: 110.1288832
• Monoisotopic Mass: 110.05317844
• SMILES: c1cc(cc(c1)C)F
• Canonical SMILES: Cc1cccc(c1)F
• InChI: InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
• InChIKey: BTQZKHUEUDPRST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-3-methylbenzene
• IUPAC Traditional name: M-fluorotoluene
• Synonyms: 3-Fluorotoluene; m-FLUOROTOLUENE; 3-Fluorotoluene; 1-Fluoro-3-methylbenzene; 1-Fluoro-3-methylbenzene; 3-Fluorotoluene 99%; 3-氟甲苯

Database IDs

• CAS Number: 352-70-5
• EC Number: 206-524-8
• MDL Number: MFCD00000339
• Beilstein Number: 1903631
• Merck Index: 144180
• PubChem SID: 24849978; 160972202
• PubChem CID: 9606

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: 11.741005 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -87 °C(lit.); -87°C; -87°C
• Boiling Point: 114-116°C; 114-116°C; 115 °C(lit.); 115°C
• Flash Point: 48.2 °F; 9 °C; 9°C; 9°C(48°F)
• Density: 0.991; 0.991 g/mL at 25 °C(lit.); 0.993
• Refractive Index: 1.469; 1.4690; n20/D 1.469(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant; IRRITANT, FLAMMABLE
• RTECS: XT2578000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2388; UN2388
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38; 11-37
• Safety Statements: 16-23; 16-26-36
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335; H225-H335
• GHS Precautionary statements: P210-P261; P210-P261-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%; 98%; 99%
• Linear Formula: CH3C6H4F

DETAILS

MP Biomedicals - 05222352

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC4320

Intermediate for the production of Ciprofloxacin.

Sigma Aldrich - 162329

Packaging
25, 100 g in glass bottle