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2-Fluoroaniline

CAT: 0286-F02190-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-F02190-01Size:100 g
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CAS Number
348-54-9
UN Code
UN2941
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00007642
Hazard Statement
H301 Toxic if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H318 Causes serious eye damage; H331 Toxic if inhaled; H335 May cause respiratory irritation.
DOT Name
Fluoroanilines
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P271 Use only outdoors or in a well-ventilated area; P280 Wear protective gloves/protective clothing/eye protection/face protection; P284 Wear respiratory protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; 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; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

2-Fluoroaniline

2-fluoroaniline is a derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate. It is a fluoroaniline and a primary arylamine.

CAS Number348-54-9
PubChem CID9584
IUPAC Name2-fluoroaniline
Molecular FormulaC6H6FN
Molecular Weight111.12
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1=CC=C(C(=C1)N)F
InChI
InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoroaniline
CAS: 348-54-9
CID: 9584
Formula: C6H6FN
MW: 111.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.12
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass111.048427358
Monoisotopic Mass111.048427358
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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