ChemicalBook--->CAS DataBase List--->4891-66-1

4891-66-1

4891-66-1 Structure

4891-66-1 Structure
IdentificationBack Directory
[Name]

2 4-TOLYLENE DIISOTHIOCYANATE 97
[CAS]

4891-66-1
[Synonyms]

toluene 2,4-diisothiocyanate
tolylene-2,4-diisothiocyanate
2 4-TOLYLENE DIISOTHIOCYANATE 97
Tolylene-2,4-diisothiocyanate 97%
2,4-diisothiocyanato-1-methyl-benzen
isothiocyanicacid,2,4-tolylenediester
Benzene, 2,4-diisothiocyanato-1-methyl-
isothiocyanicacid,4-methyl-m-phenyleneester
2,4-Toluene diisothiocyanate, 4-Methyl-1,3-phenylene diisothiocyanate
[Molecular Formula]

C9H6N2S2
[MDL Number]

MFCD00046797
[MOL File]

4891-66-1.mol
[Molecular Weight]

206.29
Chemical PropertiesBack Directory
[Melting point ]

54-57 °C(lit.)
[Boiling point ]

151 °C(Press: 4 Torr)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[InChI]

1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
[InChIKey]

NNMVCFPMIBOZCL-UHFFFAOYSA-N
[SMILES]

Cc1ccc(cc1N=C=S)N=C=S
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38-42
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

NX8930000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Definition]

ChEBI: A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.
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