ChemicalBook--->CAS DataBase List--->626-04-0

626-04-0

626-04-0 Structure

626-04-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-BENZENEDITHIOL(626-04-0)MS
1,3-BENZENEDITHIOL(626-04-0)1HNMR
1,3-BENZENEDITHIOL(626-04-0)IR1
1,3-BENZENEDITHIOL(626-04-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1,3-Benzenedithiol, 97%(626-04-0)
[Sigma Aldrich]

626-04-0(sigmaaldrich)
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