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Home> Hot Product Listed S   > STOCK4S-16911
15629-92-2 structure

STOCK4S-16911

Iupac Name:dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane
CAS No.:15629-92-2
Molecular Weight:542.046
Molecular Formula:C13H13NO8 (isomer)
Names and Identifiers
Synonyms

AC1LZMEF AC1Q30J0 AK296758 AKOS002190406 MOLPORT-000-457-644 n-(3,5-dichlorophenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl)thio)acetamide n-(3,5-dichlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide n-(3,5-dichlorophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide ZINC2366080

Inchi
InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
InChkey
ZBQUMMFUJLOTQC-UHFFFAOYSA-L
Canonical Smiles
C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ni]Cl
Properties
Melting Point
213℃
Vapour
9E-11mmHg at 25°C
HS Code
29319090
Safety and Handling
Risk Statements
R36/37/38;R40;R42/43;R49
Safety Statements
S22;S24;S26;S36/37/39;S45;S53
Transport
3282
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 15629-92-2 EC: STOCK4S-16911 ·ECHA C&L Inventory for CAS: CAS: 15629-92-2 EC: STOCK4S-16911
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 1A

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:542.046g/mol
  • Molecular Formula:C13H13NO8
  • Compound Is Canonicalized:True
  • Exact Mass:540.024
  • Monoisotopic Mass:540.024
  • Complexity:353
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:32
  • 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: AAADceB4AAMGAAAIAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABVAAAGAgAAAAACACIEAAwAIAAACCA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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