Dimethyl octadecylphosphonate - CAS 25371-54-4

Catalog:	BB043629
Product Name:	Dimethyl octadecylphosphonate
CAS:	25371-54-4
Synonyms:	1-Octadecylphosphonic acid dimethyl ester; Phosphonic acid, octadecyl-, dimethyl ester; Phosphonic acid, P-octadecyl-, dimethyl ester; Octadecylphosphonic acid dimethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-dimethoxyphosphoryloctadecane
Molecular Weight:	362.53
Molecular Formula:	C20H43O3P
Canonical SMILES:	CCCCCCCCCCCCCCCCCCP(=O)(OC)OC
InChI:	InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3
InChI Key:	FPYLHOQPWCQAIJ-UHFFFAOYSA-N
Boiling Point:	437.0±14.0°C at 760 mmHg
Density:	0.916±0.06 g/cm3
Appearance:	Liquid

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Related Functional Groups

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Phosphorus Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[3366-72-1]
P-TOLYL-PHOSPHONIC ACID
[28845-75-2]
Ethyl 2,2-dibromodiethylphosphonoacetate
[188945-44-0]
Ethyl 2-bis(2-propan-2-ylphenoxy)phosphorylacetate
[54965-29-6]
Ethyl 6-(diethylphosphono)hexanoate
[1733-55-7]
Ethyldiphenylphosphinate

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GHS Hazard Statement:	H335 (16.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H413 (90%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P271, P273, P304+P340, P319, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	362.29498223
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	362.29498223
Rotatable Bond Count:	19
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.3