Cas no 1076-98-8 (1,4-Benzenedicarbothioicacid)
1,4-Benzenedicarbothioicacid structure
Product Name:1,4-Benzenedicarbothioicacid
1,4-Benzenedicarbothioicacid Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarbothioicacid
- benzene-1,4-dicarbothioic S-acid
- DITHIOL TEREPHTHALIC ACID
- DITHIOTEREPHTHALIC ACID
- 1,4-Dithioterephthalic acid
- 1,4-Dithio-terephthalsaeure
- Dithioloterephthalic acid
- Dithiolterephthalsaeure
- dithioterephtalic acid
- EINECS 214-069-1
- Terephthalic acid,1,4-dithio
- 1,4-dithio-terephthalicaci
- 1,4-Benzenebiscarbothioic acid
- Benzene-1,4-biscarbothioic acid
- 1,4-Benzenebis(carbothioic acid)
- Benzene-1,4-bis(thiocarboxylic acid)
- Terephthalic acid,4-dithio-
- NSC 38771
- UNII-1G6FKY7GIP
- Benzene-1,4-bis(carbothioicO,O-acid)
- DITHIOTEREPHTHALICACID
- SCHEMBL1178638
- AKOS006272039
- NS00023474
- 1,4-Benzenedicarbothioic acid
- Dithiolterephthalic acid
- NSC-38771
- 4-09-00-03338 (Beilstein Handbook Reference)
- Terephthalic acid, 1,4-dithio-
- 1076-98-8
- Benzene-1,4-bis(carbothioic O,O-acid)
- DTXSID3061475
- BRN 0776254
- 1G6FKY7GIP
- benzene-1,4-bis(carbothioic) S,S-acid
- NSC38771
-
- Inchi： 1S/C8H6O2S2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H,9,11)(H,10,12)
- InChI Key： ZMOOAVPSGXARRF-UHFFFAOYSA-N
- SMILES： SC(C1C=CC(C(=O)S)=CC=1)=O
Computed Properties
- Exact Mass: 197.98100
- Monoisotopic Mass: 197.981
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 36.1A^2
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
Experimental Properties
- Density: 1.4729 (rough estimate)
- Melting Point: Not available
- Boiling Point: 305.59°C (rough estimate)
- Flash Point: 174.9oC
- Refractive Index: 1.5200 (estimate)
- PSA: 111.74000
- LogP: 1.82660
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
1,4-Benzenedicarbothioicacid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
- Safety Term：x."> Poison by intravenous route. When heated to decomposition it emits toxic fumes of SOx.
1,4-Benzenedicarbothioicacid Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
1,4-Benzenedicarbothioicacid Related Literature
-
Malcolm H. Chisholm,Nathan J. Patmore Dalton Trans. 2006 3164
-
2. Electron spin resonance studies of reduction by solvated electrons in liquid ammonia. Part III. Aromatic carboxylic acidsA. R. Buick,T. J. Kemp,G. T. Neal,T. J. Stone J. Chem. Soc. A 1970 2227
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