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Product No: BF8691

Di-1-adamantylphosphine, >95.0%

Name: Di-1-adamantylphosphine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

131211-27-3

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IUPAC name	bis(1-adamantyl)phosphane
canonical smiles	C1C2CC3CC1CC(C2)(C3)PC45CC6CC(C4)CC(C6)C5
inchi	InChI=1S/C20H31P/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18,21H,1-12H2
inchi key	RRRZOLBZYZWQBZ-UHFFFAOYSA-N
molecular formula	C20H31P
synonyms	Di-1-adamantylphosphine 131211-27-3 Di(adamantan-1-yl)phosphine Bis(1-adamantyl)phosphane Phosphine, bis(tricyclo[3.3.1.13,7]dec-1-yl)-

Computed Properties

Molecular Weight:	302.4 g/mol
XLogP3:	5.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	2
Exact Mass:	302.216337987 g/mol
Monoisotopic Mass:	302.216337987 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	21
Formal Charge:	0
Complexity:	340
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:	1
Compound Is Canonicalized:	Yes

Related Compounds

4-(1-Adamantyl)phenol

4-(1-Adamantyl)aniline

Adamantan-1-yl-piperidin-1-yl-methanone

3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Dispiro[tricyclo[3.3.1.1~3,7~]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.1~3,7~]decane]

2-(1-Adamantyl)piperidine

p-(1-Adamantyl)toluene

4-Adamantyl resorcinol

1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone

Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester

1-(1-Adamantylmethyl)imidazole

4-Pyridylmethyl 1-adamantanecarboxylate

Dispiro[adamantane-2,2''-[1,3,5]trioxolane-4'',1''''-cyclohexane]-4''''-ylmethanamine

Adamantan-1-yl(pyrrolidin-1-yl)methanone

2-Phenyladamantane

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (97.56%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (97.56%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (97.56%): Toxic if inhaled [Danger 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

Lot Number

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CAS #

*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	bis(1-adamantyl)phosphane
canonical smiles	C1C2CC3CC1CC(C2)(C3)PC45CC6CC(C4)CC(C6)C5
inchi	InChI=1S/C20H31P/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18,21H,1-12H2
inchi key	RRRZOLBZYZWQBZ-UHFFFAOYSA-N
molecular formula	C20H31P
synonyms	Di-1-adamantylphosphine 131211-27-3 Di(adamantan-1-yl)phosphine Bis(1-adamantyl)phosphane Phosphine, bis(tricyclo[3.3.1.13,7]dec-1-yl)-

Computed Properties

Molecular Weight:	302.4 g/mol
XLogP3:	5.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	2
Exact Mass:	302.216337987 g/mol
Monoisotopic Mass:	302.216337987 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	21
Formal Charge:	0
Complexity:	340
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:	1
Compound Is Canonicalized:	Yes

Related Compounds

4-(1-Adamantyl)phenol

4-(1-Adamantyl)aniline

Adamantan-1-yl-piperidin-1-yl-methanone

3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Dispiro[tricyclo[3.3.1.1~3,7~]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.1~3,7~]decane]

2-(1-Adamantyl)piperidine

p-(1-Adamantyl)toluene

4-Adamantyl resorcinol

1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone

Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester

1-(1-Adamantylmethyl)imidazole

4-Pyridylmethyl 1-adamantanecarboxylate

Dispiro[adamantane-2,2''-[1,3,5]trioxolane-4'',1''''-cyclohexane]-4''''-ylmethanamine

Adamantan-1-yl(pyrrolidin-1-yl)methanone

2-Phenyladamantane

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (97.56%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (97.56%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (97.56%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BF8691

Di-1-adamantylphosphine, >95.0%

Product No: BF8691

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BF8691

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?