CAS No.868-85-9,Dimethyl phosphite Suppliers

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Basic Information

Molecular Structure:
CAS No.:	868-85-9
Name:	Dimethyl phosphite
Article Data:	99

Formula:	C₂H₇O₃P
Molecular Weight:	110.05
Synonyms:	Dimethoxyphosphineoxide;Dimethyl acid phosphite;Dimethyl hydrogen phosphite;Dimethyl hydrogenphosphonate;Dimethyl phosphite;Dimethyl phosphonate;Hydrogen dimethylphosphite;Methyl phosphonate ((MeO)2HPO);
EINECS:	212-783-8
Density:	1.2g/mLat 25°C(lit.)
Boiling Point:	170.499 °C at 760 mmHg
Flash Point:	29.444 °C
Solubility:	Soluble in water.
Appearance:	colourless liquid
Hazard Symbols:	Xn
Risk Codes:	21-36-10
Safety:	26-36/37
Transport Information:	UN 3278
PSA:	59.00000
LogP:	0.66890

Synthetic route

: 67-56-1
methanol

: 868-85-9
Dimethyl phosphite

Conditions

Conditions	Yield
With phosphorus trichloride In dichloromethane for 0.166667h;	98%
With phosphorus trichloride
With phosphorus trichloride

: 121-45-9
phosphorous acid trimethyl ester

: 868-85-9
Dimethyl phosphite

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; water at 25℃; Sealed tube;	92%
With water In tetrahydrofuran at 20℃; Inert atmosphere;	82%
With water In methanol
With [Pt(H2O)2(1,1'-bis(diphenylphosphanyl)octamethylferrocene)](trifluoromethylsulfonate)2; water In tetrahydrofuran at 20℃; for 0.0833333h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; Sealed tube; chemoselective reaction;
With trifluorormethanesulfonic acid In water at 25℃; for 0.5h; Inert atmosphere;

: 67-56-1
methanol

: 91157-34-5
Dimethyl 2-(N-tert-butyl-N-methylamino)benzoylphosphonate

A: Methyl 2-(N-tert-butyl-N-methylamino)benzoate

B: 868-85-9
Dimethyl phosphite

C: 85-91-6
Methyl N-methylanthranilate

Conditions

Conditions	Yield
Heating;	A 90% B 30% C 5%

...Expand

: 67-56-1
methanol

A: 868-85-9
Dimethyl phosphite

B: Methyl phosphonochloridate

Conditions

Conditions	Yield
With phosphorus trichloride In chloroform at 0℃; for 0.5h;	A 84% B 16%

: 67-56-1
methanol

A: 868-85-9
Dimethyl phosphite

B: Methyl phosphonochloridate

C: 13590-71-1
phosphonic acid monomethyl ester

Conditions

Conditions	Yield
With phosphorus trichloride In chloroform at 25℃; for 0.5h;	A 83% B 3% C 14%

...Expand

: 18106-71-3
dimethyl benzoylphosphonate

A: 613-94-5
benzoic acid hydrazide

B: 868-85-9
Dimethyl phosphite

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol at 0℃; for 0.5h; Title compound not separated from byproducts;	A 80% B n/a

: 67-56-1
methanol

A: 13598-36-2
phosphonic Acid

B: 868-85-9
Dimethyl phosphite

C: 13590-71-1
phosphonic acid monomethyl ester

Conditions

Conditions	Yield
With phosphorus trichloride at 25℃; for 1h;	A 1% B 73% C 26%

...Expand

: 67-56-1
methanol

A: 512-56-1
trimethyl phosphite

B: 868-85-9
Dimethyl phosphite

Conditions

Conditions	Yield
With phosphorous; 10H-phenothiazine; N,N,N,N-tetraethylammonium tetrafluoroborate In N,N-dimethyl-formamide at 53℃; electrolysis;	A 9% B 71%

: 67-56-1
methanol

A: 512-56-1
trimethyl phosphite

B: 868-85-9
Dimethyl phosphite

C: 756-79-6
dimethyl methane phosphonate

Conditions

Conditions	Yield
With phosphorous; tetraethylammonium iodide In acetonitrile at 18℃; electrolysis;	A 70% B 11% C 3%
With phosphorous; tetraethylammonium iodide In acetonitrile at 18℃; Mechanism; Product distribution; electrolysis; var. nucleophiles; var. temperatures;	A 70% B 11% C 3%
With phosphorous In acetonitrile at 18℃; Electrolysis;	A 70% B 11% C 3%

...Expand

: 80094-07-1
dimethyl <4-(diphenylmethylene)-1,4-dihydro-1-hydroxynaphthyl>phosphonate

A: 5690-41-5
4-(diphenylmethylene)-1(4H)-naphthalenone

B: 868-85-9
Dimethyl phosphite

Conditions

Conditions	Yield
under 1 Torr; Heating;	A 69% B n/a

Raw Materials

122-52-1

100-46-9

149-73-5

109-73-9

Downstream Products

1112-38-5

10177-75-0

141380-75-8

93-58-3

104-85-8

13114-07-3

2240-41-7

6163-75-3

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 48 , 1990,p. 85.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 48 , 1990,p. 85.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Studies (gavage); No Evidence: mouse NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-287 ,1985. ; Clear Evidence: rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-287 ,1985. . Reported in EPA TSCA Inventory.

Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

Specification

The Dimethyl phosphonate, with the CAS registry number 868-85-9 and EINECS registry number 212-783-8, is also called phosphonic acid, dimethyl ester. It is a kind of colourless liquid, and belongs to the following product categories: Pharmaceutical Intermediates; Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds. And the molecular formula of this chemical is C₂H₇O₃P. What's more, It is used intermediate in production of insecticides or herbicides, and it is also used as organophosphorus pesticides dipterex and herbicide glyphosate.

The physical properties of Dimethyl phosphonate are as following: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 59 Å²; (7)Flash Point: 29.444 °C; (8)Enthalpy of Vaporization: 39.018 kJ/mol; (9)Boiling Point: 170.499 °C at 760 mmHg; (10)Vapour Pressure: 1.945 mmHg at 25°C.

Preparation of Dimethyl phosphonate: It can be prepared by methanol and phosphorus trichloride:
3CH₃OH+PCl₃→(CH₃O)₂POH+2HCl+CH₃Cl

Uses of Dimethyl phosphonate: It can react with cyclohexanone to produce (1-hydroxy-cyclohexyl)-phosphonic acid dimethyl ester. This reaction will need catalyst 1,5,7-triazabicyclo[4.4.0]dec-5-ene with temperature of 0°C, and the yield is about 78%.

Dimethyl phosphonate can react with cyclohexanone to produce (1-hydroxy-cyclohexyl)-phosphonic acid dimethyl ester

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and irritates eyes, and it is also harmful in contact with skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)OC
(2)InChI: InChI=1/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
(3)InChIKey: HZCDANOFLILNSA-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LC	inhalation	> 7100mg/m³/6H (7100mg/m³)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0537047,
guinea pig	LD50	oral	900mg/kg (900mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992.
mouse	LC	inhalation	> 7100mg/m³/6H (7100mg/m³)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0537047,
mouse	LD50	oral	1831mg/kg (1831mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992.
mouse	LD50	subcutaneous	2610mg/kg (2610mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992.
rabbit	LD50	skin	681mg/kg (681mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0537044,
rat	LC50	inhalation	> 20gm/m³ (20000mg/m³)		Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984,
rat	LD50	oral	3040mg/kg (3040mg/kg)		National Toxicology Program Technical Report Series. Vol. NTP-TR-287, Pg. 1985,
rat	LD50	subcutaneous	2970mg/kg (2970mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992.