1-Ethynyl-2,4-difluorobenzene

• CAS: 302912-34-1
• Catalog Number: ACM302912341
• Category: Alcohols
• Molecular Weight: 138.12
• Molecular Formula: C8H4F2
• Synonyms: 2,4-Difluorophenylacetylene
• IUPAC Name: 1-ethynyl-2,4-difluorobenzene
• Canonical SMILES: C#CC1=C(C=C(C=C1)F)F
• InChI: InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
• InChI Key: HRUJQXRGWQWYDH-UHFFFAOYSA-N
• Melting Point: 27 °C
• Density: Air Sensitive,Heat Sensitive
• Appearance: White to Yellow to Orange powder to crystal
• Storage: Store under inert gas,0-10°C
• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Exact Mass: 138.028106g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.H228 : Flammable solid.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD02093726
• Monoisotopic Mass: 138.028106g/mol
• Precautionary Statements: 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.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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• RIDADR: NA 1993 / PGIII
• Rotatable Bond Count: 1
• Signal Word: Warning
• Symbol: GHS07
• XLogP3: 2.4

Custom Q&A

What is the molecular formula of 1-Ethynyl-2,4-difluorobenzene?

The molecular formula is C8H4F2.

What is the molecular weight of 1-Ethynyl-2,4-difluorobenzene?

The molecular weight is 138.11 g/mol.

What is the IUPAC name of 1-Ethynyl-2,4-difluorobenzene?

The IUPAC name is 1-ethynyl-2,4-difluorobenzene.

What is the InChI of 1-Ethynyl-2,4-difluorobenzene?

The InChI is InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H.

What is the InChIKey of 1-Ethynyl-2,4-difluorobenzene?

The InChIKey is HRUJQXRGWQWYDH-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Ethynyl-2,4-difluorobenzene?

The canonical SMILES is C#CC1=C(C=C(C=C1)F)F.

What is the CAS number of 1-Ethynyl-2,4-difluorobenzene?

The CAS number is 302912-34-1.

What is the EC number of 1-Ethynyl-2,4-difluorobenzene?

The EC number is 629-222-1.

What is the molecular weight of 1-Ethynyl-2,4-difluorobenzene according to PubChem?

The molecular weight is 138.11 g/mol.

Is 1-Ethynyl-2,4-difluorobenzene a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.