4044-65-9 6D1R3P86GX Bitoscanate Bitoscanate [INN] Benzene, 1,4-diisothiocyanato- Isothiocyanic acid, 1,4-phenylenedi- p-Phenylene bis(isothiocyanate) 4-13-00-00174 (Beilstein Handbook Reference) AI3-28258 Bitoscanato [INN-Spanish] Bitoscanato [Spanish] Bitoscanatum [INN-Latin] Bitoscanatum [Latin] BRN 2414340 1,4-Diisothiocyanatobenzene EINECS 223-741-3 HSDB 6435 Isothiocyanic acid p-phenylene ester Jonit Phenylene thiocyanate Phenylene-1,4-diisothiocyanate WM 842 Hoe 16842 1,4-Phenylen-diisothiocyanat Bitoscanato Bitoscanatum UNII-6D1R3P86GX CAS 4044-65-9

Purity 97%+In StockPharmaceutical Standards
CAS No.4044-65-9
Molecular FormulaC8H10N2S2
Molecular Weight198.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4044-65-9
6D1R3P86GX
Bitoscanate
Bitoscanate [INN]
Benzene, 1,4-diisothiocyanato-
Isothiocyanic acid, 1,4-phenylenedi-
p-Phenylene bis(isothiocyanate)
4-13-00-00174 (Beilstein Handbook Reference)
AI3-28258
Bitoscanato [INN-Spanish]
Bitoscanato [Spanish]
Bitoscanatum [INN-Latin]
Bitoscanatum [Latin]
BRN 2414340
1,4-Diisothiocyanatobenzene
EINECS 223-741-3
HSDB 6435
Isothiocyanic acid p-phenylene ester
Jonit
Phenylene thiocyanate
Phenylene-1,4-diisothiocyanate
WM 842
Hoe 16842
1,4-Phenylen-diisothiocyanat
Bitoscanato
Bitoscanatum
UNII-6D1R3P86GX CAS 4044-65-9 chemical structure

Description

The occurrence of 4044-65-9 6D1R3P86GX Bitoscanate Bitoscanate [INN] Benzene, 1,4-diisothiocyanato- Isothiocyanic acid, 1,4-phenylenedi- p-Phenylene bis(isothiocyanate) 4-13-00-00174 (Beilstein Handbook Reference) AI3-28258 Bitoscanato [INN-Spanish] Bitoscanato [Spanish] Bitoscanatum [INN-Latin] Bitoscanatum [Latin] BRN 2414340 1,4-Diisothiocyanatobenzene EINECS 223-741-3 HSDB 6435 Isothiocyanic acid p-phenylene ester Jonit Phenylene thiocyanate Phenylene-1,4-diisothiocyanate WM 842 Hoe 16842 1,4-Phenylen-diisothiocyanat Bitoscanato Bitoscanatum UNII-6D1R3P86GX is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4044-65-9 6D1R3P86GX Bitoscanate Bitoscanate [INN] Benzene, 1,4-diisothiocyanato- Isothiocyanic acid, 1,4-phenylenedi- p-Phenylene bis(isothiocyanate) 4-13-00-00174 (Beilstein Handbook Reference) AI3-28258 Bitoscanato [INN-Spanish] Bitoscanato [Spanish] Bitoscanatum [INN-Latin] Bitoscanatum [Latin] BRN 2414340 1,4-Diisothiocyanatobenzene EINECS 223-741-3 HSDB 6435 Isothiocyanic acid p-phenylene ester Jonit Phenylene thiocyanate Phenylene-1,4-diisothiocyanate WM 842 Hoe 16842 1,4-Phenylen-diisothiocyanat Bitoscanato Bitoscanatum UNII-6D1R3P86GX (CAS 4044-65-9), molecular formula C8H10N2S2 and molecular weight 198.31 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4044-65-9 6D1R3P86GX Bitoscanate Bitoscanate [INN] Benzene, 1,4-diisothiocyanato- Isothiocyanic acid, 1,4-phenylenedi- p-Phenylene bis(isothiocyanate) 4-13-00-00174 (Beilstein Handbook Reference) AI3-28258 Bitoscanato [INN-Spanish] Bitoscanato [Spanish] Bitoscanatum [INN-Latin] Bitoscanatum [Latin] BRN 2414340 1,4-Diisothiocyanatobenzene EINECS 223-741-3 HSDB 6435 Isothiocyanic acid p-phenylene ester Jonit Phenylene thiocyanate Phenylene-1,4-diisothiocyanate WM 842 Hoe 16842 1,4-Phenylen-diisothiocyanat Bitoscanato Bitoscanatum UNII-6D1R3P86GX (C8H10N2S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC8H10N2S2
Molecular Weight198.31 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Nitrogen Atoms2
Sulfur Atoms2

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