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Sulphur Black 1(CAS No. 1326-82-5)

Sulphur Black 1 C6H4N2O5 (cas 1326-82-5) Molecular Structure

1326-82-5 Structure

Identification and Related Records

【Name】
Sulphur Black 1
【CAS Registry number】
1326-82-5
【Synonyms】
Asphalen Sulphur Black S
Atul SulphurBlack GXR
C.I. Sulfur Black 1
KayakuSulphur Black BX 200 Flakes
Pirocard Black PSE
Shangdasulfur Black BN
Sulfur Black T
Sulphol BlackB 150
Sulphur Black
SulphurBlack
Diresul Black P
Diresul Liquid Black PDK
Eclipse BlackBG
Fenoxyl Black RD
Immedial BlackGN
Immedial Carbon B
Immedial Carbon BO
【EINECS(EC#)】
215-444-2
【Molecular Formula】
C6H4N2O5 (Products with the same molecular formula)
【Molecular Weight】
184.10636
【Inchi】
InChI=1S/C6H6O4S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
【Canonical SMILES】
C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[Na+]
【MOL File】
1326-82-5.mol

Chemical and Physical Properties

【Appearance】
Black flake/Granular
【Density】
1.87 g/cm3
【Boiling Point】
660.3 °C at 760 mmHg
【Flash Point】
353.1 °C
【Water】
insoluble
【Computed Properties】
Molecular Weight:196.15627 [g/mol]
Molecular Formula:C6H5NaO4S
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:195.980624
MonoIsotopic Mass:195.980624
Topological Polar Surface Area:85.8
Heavy Atom Count:12
Formal Charge:0
Complexity:220
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Safety】

A poison by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

【Specification】

?C.I. Sulphur Black 1 , its CAS NO. is 1326-82-5, the synonyms are 2,4-Dinitro-phenol sulfurised ; C.I. 53185 ; Sulphur Black B/BR ; Sulphur Black B ; Sulphur Black BR ; Sulfur Black and so on .

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