4-Fluorobenzonitrile

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Catalog Number
ACM1194021
Product Name
4-Fluorobenzonitrile
Structure
Structure
CAS
1194-02-1
Category
Aryl Fluorinated Building Blocks
Synonyms
1-Cyano-4-fluorobenzene
IUPAC Name
4-fluorobenzonitrile
Molecular Weight
121.11
Molecular Formula
C7H4FN
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
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