ChemicalBook--->CAS DataBase List--->3125-77-7

3125-77-7

3125-77-7 Structure

3125-77-7 Structure
IdentificationBack Directory
[Name]

1 3-PHENYLENE DIISOTHIOCYANATE 97
[CAS]

3125-77-7
[Synonyms]

1,3-Diisothiocyanatobenzene
1,3-diisothiocyanato-benzen
1,3-Phenylenebisisothiocyanate
Benzene, 1,3-diisothiocyanato-
1 3-PHENYLENE DIISOTHIOCYANATE 97
isothiocyanicacid,m-phenyleneester
[Molecular Formula]

C8H4N2S2
[MDL Number]

MFCD01716878
[MOL File]

3125-77-7.mol
[Molecular Weight]

192.26
Chemical PropertiesBack Directory
[Melting point ]

56 °C (dec.) (lit.)
[Boiling point ]

358.8±25.0 °C(Predicted)
[density ]

1.3675 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

2-8°C
[form ]

solid
[Water Solubility ]

3.845mg/L(25 ºC)
[InChI]

1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
[InChIKey]

BOLANQNHTGVOMY-UHFFFAOYSA-N
[SMILES]

S=C=Nc1cccc(c1)N=C=S
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-42
[Safety Statements ]

22-26-36/37
[RIDADR ]

UN 3335
[WGK Germany ]

3
[RTECS ]

NX9160000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
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