| Identification | More | [Name]
1,3-BENZENEDITHIOL | [CAS]
626-04-0 | [Synonyms]
1,3-BENZENEDITHIOL
1,3-BENZENEDITHIOLE
1,3-DIMERCAPTOBENZENE
BENZENE-1,3-DITHIOL
M-BDT
1,3-Benzedithiol
1,3-Dimercaptobenzene~Dithioresorcinol
Dithioresorcinol
Benzol-1,3-dithiol
1,3-Benzenebisthiol
Benzene-1,3-bisthiol
m-Dithioresorcinol | [EINECS(EC#)]
210-925-3 | [Molecular Formula]
C6H6S2 | [MDL Number]
MFCD00004842 | [Molecular Weight]
142.24 | [MOL File]
626-04-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
24-25 °C(lit.) | [Boiling point ]
128-129 °C16 mm Hg(lit.) | [density ]
1.24 | [Fp ]
>230 °F
| [refractive index ]
1.6625 | [storage temp. ]
-20°C, stored under nitrogen, away from moisture | [solubility ]
Miscible with acetonitrile. | [form ]
solid | [pka]
5.84±0.10(Predicted) | [color ]
White or Colorless to Light yellow | [Sensitive ]
Air Sensitive | [BRN ]
1634412 | [InChI]
1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H | [InChIKey]
ZWOASCVFHSYHOB-UHFFFAOYSA-N | [SMILES]
SC1=CC(S)=CC=C1 | [CAS DataBase Reference]
626-04-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection . | [RIDADR ]
UN 3335 | [WGK Germany ]
3
| [F ]
9-13 | [PackingGroup ]
III | [HS Code ]
2930909899 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 1 Inhalation
Acute Tox. 2 Dermal
Acute Tox. 2 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Repr. 2
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Uses]
1,3-Benzenedithiol is used to improve power conversion efficiency in cadmium selenide nanorods/poly(3-hexylthiophene) hybrid solar cells. It acts as an intermediate as well as involved in the preparation of 1,3-bis(-styrylthio)-benzol. |
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