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Home> Hot Product Listed 6   > 6-Benzothiazolesulfonicacid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-,...
150-50-5 structure

6-Benzothiazolesulfonicacid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-,sodium salt (1:1)

Iupac Name:tris(butylsulfanyl)phosphane
CAS No.:150-50-5
Molecular Weight:298.502
Molecular Formula:C7H9N5O (isomer)
Names and Identifiers
Synonyms

6-Benzothiazolesulfonicacid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-, sodiumsalt (9CI)

Inchi
InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChkey
KLAPGAOQRZTCBI-UHFFFAOYSA-N
Canonical Smiles
CCCCSP(SCCCC)SCCCC
Properties
Density
1.304
Boiling Point
527.8°C at 760 mmHg
Vapour
1.2E-05mmHg at 25°C
Flash Point
219.8°C
HS Code
2931900090
Safety and Handling
Safety Statements
Poison by intraperitoneal route. Moderately toxic by ingestion and skin contact. A cholinesterase inhibitor. Combustible when exposed to heat or flame. Can react vigorously with oxidizing materials. When heated to decomposition it emits highly toxic fumes of POx and SOx. Used as a defoliant. See also PARATHION.
HazardClass
6.1(b)
PackingGroup
III
Transport
3278
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:298.502g/mol
  • Molecular Formula:C7H9N5O
  • Compound Is Canonicalized:True
  • Exact Mass:298.101
  • Monoisotopic Mass:298.101
  • Complexity:110
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:75.9A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwAAJgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAQAAAAACACEQACCAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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