ChemicalBook--->CAS DataBase List--->3125-73-3

3125-73-3

3125-73-3 Structure

3125-73-3 Structure
IdentificationMore
[Name]

3-IODOPHENYL ISOTHIOCYANATE
[CAS]

3125-73-3
[Synonyms]

3-IODOPHENYL ISOTHIOCYANATE
3-Iodoisothiocyanatobenzene
3-IODOPHENYL ISOTHIOCYANATE 97%
[Molecular Formula]

C7H4INS
[MDL Number]

MFCD00041074
[Molecular Weight]

261.08
[MOL File]

3125-73-3.mol
Chemical PropertiesBack Directory
[Melting point ]

45-48 °C(lit.)
[Boiling point ]

318.1±25.0 °C(Predicted)
[density ]

1.8000 (rough estimate)
[refractive index ]

1.6730 (estimate)
[Fp ]

230 °F
[form ]

powder to lump
[color ]

White to Orange to Green
[Water Solubility ]

5.483mg/L(25 ºC)
[Sensitive ]

Moisture & Light Sensitive
[BRN ]

2802538
[InChI]

1S/C7H4INS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
[InChIKey]

LKCSXVAACHUTGC-UHFFFAOYSA-N
[SMILES]

Ic1cccc(c1)N=C=S
[CAS DataBase Reference]

3125-73-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29309090
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 4
Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

3-Iodophenyl isothiocyanate may be used for the synthesis of radiopharmaceutical compounds.
[General Description]

3-Iodophenyl isothiocyanate, also referred as m-iodophenyl isothiocyanate, is an isothiocyanate derivative. Its density at 25°C is 1.8000g/cm3.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Iodophenyl isothiocyanate, 98%(3125-73-3)
[Sigma Aldrich]

3125-73-3(sigmaaldrich)
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