4-Fluorobenzonitrile

• CAS: 1194-02-1
• Catalog Number: ACM1194021
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 121.11
• Molecular Formula: C7H4FN
• Synonyms: 1-Cyano-4-fluorobenzene
• IUPAC Name: 4-fluorobenzonitrile
• Canonical SMILES: C1=CC(=CC=C1C#N)F
• InChI: InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
• InChI Key: AEKVBBNGWBBYLL-UHFFFAOYSA-N
• Boiling Point: 188 °C /750mmHg(lit.)
• Melting Point: 32-34 °C (lit.)
• Density: 1.107 g/ml
• Appearance: Colorless to Yellow to Green clear liquid
• Complexity: 127
• Covalently-Bonded Unit Count: 1
• EC Number: 214-784-9
• Exact Mass: 121.032777g/mol
• Formal Charge: 0
• Hazard Statements: H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.H228 : Flammable solid.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 9
• MDL Number: MFCD00001812
• Monoisotopic Mass: 121.032777g/mol
• NSC Number: 88330
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P240 : Ground/bond container and receiving equipment.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
• RIDADR: UN 2811 6.1 / PGIII
• Rotatable Bond Count: 0
• Signal Word: Danger
• Symbol: GHS06
• XLogP3: 2.1

Custom Q&A

What is the molecular formula of 4-Fluorobenzonitrile?

The molecular formula of 4-Fluorobenzonitrile is C7H4FN.

How is 4-Fluorobenzonitrile described in terms of its chemical classification?

4-Fluorobenzonitrile is described as a member of benzenes and a nitrile.

What is the IUPAC name of 4-Fluorobenzonitrile?

The IUPAC name of 4-Fluorobenzonitrile is 4-fluorobenzonitrile.

What is the InChI of 4-Fluorobenzonitrile?

The InChI of 4-Fluorobenzonitrile is InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H.

What is the InChIKey of 4-Fluorobenzonitrile?

The InChIKey of 4-Fluorobenzonitrile is AEKVBBNGWBBYLL-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-Fluorobenzonitrile?

The canonical SMILES representation of 4-Fluorobenzonitrile is C1=CC(=CC=C1C#N)F.

What is the molecular weight of 4-Fluorobenzonitrile?

The molecular weight of 4-Fluorobenzonitrile is 121.11 g/mol.

What is the CAS number of 4-Fluorobenzonitrile?

The CAS number of 4-Fluorobenzonitrile is 1194-02-1.

How many hydrogen bond acceptor counts does 4-Fluorobenzonitrile have?

4-Fluorobenzonitrile has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 4-Fluorobenzonitrile have?

4-Fluorobenzonitrile has 0 rotatable bond counts.