4-Bromobenzonitrile

• Catalog Number: ACM623007
• Product Name: 4-Bromobenzonitrile
• CAS: 623-00-7
• Category: Bromine Series
• Synonyms: 4-Bromocyanobenzene
• IUPAC Name: 4-bromobenzonitrile
• Molecular Weight: 182.02
• Molecular Formula: C7H4BrN
• Canonical SMILES: C1=CC(=CC=C1C#N)Br
• InChI: InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
• InChI Key: HQSCPPCMBMFJJN-UHFFFAOYSA-N
• Boiling Point: 236 °C
• Melting Point: 113 °C
• Flash Point: 130°C
• Density: 1,562 g/cm³
• Appearance: White to Light yellow powder to crystal
• Complexity: 127
• Covalently-Bonded Unit Count: 1
• EC Number: 210-764-9
• Exact Mass: 180.95271g/mol
• Formal Charge: 0
• Hazard Statements: H301 : Toxic if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 9
• MDL Number: MFCD00001811
• Monoisotopic Mass: 180.95271g/mol
• NSC Number: 3978
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.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.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P405 : Store locked up.
• Rotatable Bond Count: 0
• Safety Description: 61-36/37/39-26
• Signal Word: Danger
• Supplemental Hazard Statements: H312-H331-H335-H402-H315-H319-H412-H301
• Symbol: GHS07,GHS06
• XLogP3: 2.6