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Product No: AB2689

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II), 98%

Name: Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)
Brand: Chempure

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CAS Number

16971-33-8

Molecular Weight

952.4

Formula

C55H46ClOP3Ru

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About this item

IUPAC name	carbon monoxide;chlororuthenium;triphenylphosphane
canonical smiles	[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]
inchi	InChI=1S/3C18H15P.CO.ClH.Ru/c31-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h31-15H;;1H;/q;;;;;+1/p-1
inchi key	MVJRXTSUBHUUPN-UHFFFAOYSA-M
molecular formula	C55H45ClOP3Ru
synonyms	16971-33-8 Carbonylchlorohydrotris(triphenylphosphine)ruthenium Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) carbon monoxide;chlororuthenium;triphenylphosphane MFCD31942895

Computed Properties

Molecular Weight:	951.4 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	9
Exact Mass:	951.141520 g/mol
Monoisotopic Mass:	951.141520 g/mol
Topological Polar Surface Area:	1 Å²
Heavy Atom Count:	61
Formal Charge:	0
Complexity:	214
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:	5
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (97.83%) Acute Tox. 4 (86.96%) Skin Irrit. 2 (97.83%) Eye Irrit. 2 (97.83%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (86.96%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (86.96%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	carbon monoxide;chlororuthenium;triphenylphosphane
canonical smiles	[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]
inchi	InChI=1S/3C18H15P.CO.ClH.Ru/c31-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h31-15H;;1H;/q;;;;;+1/p-1
inchi key	MVJRXTSUBHUUPN-UHFFFAOYSA-M
molecular formula	C55H45ClOP3Ru
synonyms	16971-33-8 Carbonylchlorohydrotris(triphenylphosphine)ruthenium Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) carbon monoxide;chlororuthenium;triphenylphosphane MFCD31942895

Computed Properties

Molecular Weight:	951.4 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	9
Exact Mass:	951.141520 g/mol
Monoisotopic Mass:	951.141520 g/mol
Topological Polar Surface Area:	1 Å²
Heavy Atom Count:	61
Formal Charge:	0
Complexity:	214
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:	5
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (97.83%) Acute Tox. 4 (86.96%) Skin Irrit. 2 (97.83%) Eye Irrit. 2 (97.83%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (86.96%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (86.96%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AB2689

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II), 98%

Product No: AB2689

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB2689

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?