Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > SCHEMBL542859
127-52-6 structure

SCHEMBL542859

Iupac Name:sodium;benzenesulfonyl(chloro)azanide
CAS No.:127-52-6
Molecular Weight:213.61700
Molecular Formula:C12H18BRN3O (isomer)
Names and Identifiers
Synonyms

bis(4-fluorobenzenesulfonic acid)2,4-hexadiyne-1,6-diyl ester

Inchi
InChI=1S/C6H5ClNO2S.Na/c7-8-11(9,10)6-4-2-1-3-5-6;/h1-5H;/q-1;+1
InChkey
KDNCILYKSYKEFJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]
Properties
Melting Point
170ºC
HS Code
2935009090
Safety and Handling
Risk Statements
R2; R31; R34; R42
Safety Statements
7-22-26-36/37/39-45
HazardClass
8
PackingGroup
II
Transport
UN 3263 8/PG 2
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL INDIVIDUAL 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Bochemie a.s. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:213.61700g/mol
  • Molecular Formula:C12H18BRN3O
  • Compound Is Canonicalized:True
  • Exact Mass:212.963
  • Monoisotopic Mass:212.963
  • Complexity:208
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.5A^2
  • Heavy Atom Count:12
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcYBiMCBEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAQAYAAACACAUAAwAYAAAAKA ACBCAHBCABAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-25-84267575
  • Fax:86-25-84209498
  • Tel:86-22-59853797
  • Fax:86-22-58823400
Recommended Suppliers
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-25-84267575
  • Fax:86-25-84209498
  • Tel:86-22-59853797
  • Fax:86-22-58823400
 
<