Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed N   > NICKELSULFIDE
13292-46-1 structure

NICKELSULFIDE

CAS No.:13292-46-1
Molecular Weight:822.953
Molecular Formula:C10H18N2O2S (isomer)
Names and Identifiers
Synonyms

SULPHIDICNICKEL

Inchi
InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20?/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
InChkey
FZYOVNIOYYPUPY-AMSHPFMVSA-N
Canonical Smiles
CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
Isomers Smiles
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=
O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)
OC(=O)C)C)OC)C)C)O)O)/C
Properties
Appearance
Dark iron gray solid
Density
3 g/mL at 25 °C(lit.)
Melting Point
183℃ (dec.)
Vapour
0mmHg at 25°C
Refractive Index
1.613
HS Code
29419000
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S36
Safety
Confirmed human carcinogen with experimental carcinogenic and neoplastigenic data. When heated to decomposition it emits toxic fumes of SOx.
Specification

The Nickel disulfide is an inorganic chemical compound with the formula NiS2. The CAS registry number is 12035-51-7 and the classification code is Tumor data. Additionally, this product is also named as Nickel sulfide. It is dark iron gray solid which must be stored at normal temperature and avoided direct sunshine.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also is irritating to eyes, respiratory system and skin. And it has limited evidence of a carcinogenic effect. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use. 

People can use the following data to convert to the molecule structure.
1. Smiles:[Ni](=S)=S
2. InChI:InChI=1/Ni.2S/rNiS2/c2-1-3

Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 13292-46-1 EC: NICKELSULFIDE ·ECHA C&L Inventory for CAS: CAS: 13292-46-1 EC: NICKELSULFIDE
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P271 Use only outdoors or in a well-ventilated area.

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:822.953g/mol
  • Molecular Formula:C10H18N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:822.405
  • Monoisotopic Mass:822.405
  • Complexity:1750
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:15
  • Topological Polar Surface Area:217A^2
  • Heavy Atom Count:59
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:3
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB/vAAAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAEiBAAAAHgAYCAAADRzhmAYCDoPiBgCI AqXWWAKCCAAkIAAYqIFMCMgcdz6GtR62eWCl5BWMucfb7PzO4AADCAAYAADAAAYQADAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
<