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3-Fluorophenyl isothiocyanate

CAS#[404-72-8]
G-codeGEO-01424
EC number206-967-7
Molecular formulaC7H4FNS
Molecular weight153.17
Synonyms 1-Fluoro-3-isothiocyanato-benzene ; m-fluorophenyl Isothiocyanicacid ester
Structure of 3-Fluorophenyl isothiocyanate

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Specification

Appearanceyellowish liquid
Purity99,8% (GC)
Identification1H NMR conforms to structure

Structural identification

CAS#[404-72-8]
G-codeGEO-01424
EC number206-967-7
SMILESFC1=CC=CC(N=C=S)=C1
InChIInChI=1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI KeyInChIKey=HDBACITVPQEAGG-UHFFFAOYSA-N
Download structure as .mol

Regulatory Information

Transport InformationCORROSIVE LIQUID, TOXIC, N.O.S. UN2922 8 (6.1)/ PG III
GHS pictogram
GHS05_corrosiveGHS07_harmful
Signal WordDanger
Hazard Statements
H302 - H312 - H314 - H332 - H335

H302 – Harmful if swallowed
H312 – Harmful in contact with skin
H314 – Causes severe skin burns and eye damage
H332 – Harmful if inhaled
H335 – May cause respiratory irritation

Precautionary Statements
P261 - P280 - P301+330+331 - P302+352 - P305+351+338

P261 – Avoid breathing dust/fume/gas/mist/vapours/spray:
P280 – Wear protective gloves/protective clothing/eye protection/face protection:
P301+330+331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
P302+352 – IF ON SKIN: Wash with soap and water
P305+351+338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing

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