Basic information
- Name:
Phosphorous acid,trimethyl ester
- Superlist Name:
- Trimethyl phosphite
- CAS No.:
121-45-9
- Molecular Structure:

- Formula:
- C3H9O3P
- Molecular Weight:
- 124.08
- Synonyms:
- Fosforyn trojmetylowy;Trimethoxyfosfin;
- EINECS:
- 204-471-5
- Melting Point:
- -78 °C
- Boiling Point:
- 110.2 °C at 760 mmHg
- Flash Point:
- 27.8 °C
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 10-22-36/37/38
- Safety Description:
- 26 Details
- Transport Information:
- UN 2329 3/PG 3
- particular:
- particular
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Specification
The Trimethyl phosphite, with its CAS registry number 121-45-9, is a kind of clear colorless liquid with a strong foul odor. This chemical is sensitive to air and moisture.
The physical properties of this chemical are as below: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.46; (8)ACD/KOC (pH 7.4): 12.46; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.57; (13)Index of Refraction: 1.379; (14)Molar Refractivity: 28.05 cm3; (15)Molar Volume: 121.2 cm3; (16)Polarizability: 11.12×10-24 cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 83.7 °C; (20)Enthalpy of Vaporization: 41.57 kJ/mol; (21)Boiling Point: 197.2 °C at 760 mmHg; (22)Vapour Pressure: 0.539 mmHg at 25°C; (23)Exact Mass: 124.028931; (24)MonoIsotopic Mass: 124.028931; (25)Topological Polar Surface Area: 27.7; (26)Heavy Atom Count: 7; (27)Complexity: 31.7.
Use of this chemical: Trimethyl phosphite could react with chloro-triphenyl-methane to produce trityl-phosphonic acid dimethyl ester. This reaction could react in the temperature of 140 - 175 ℃.
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As to its usage, it is widely applied in many ways. It could be used as the organic phosphorus pesticide intermediates, such as for the dichlorvos, phosphorous amines and monocrotophos; And it could also be used as flame retardants of plastic and wood, as well as catalyst of synthetic polymer and additive of painting.
When you are dealing with this chemical, you should be very careful. For being a kind of harmful chemical, it may cause damage to health. And it is irritating to eyes, respiratory system and skin and it will be very dangerous if swallowed. Therefore, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COP(OC)OC
(2)InChI: InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3
(3)InChIKey: CYTQBVOFDCPGCX-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LC | inhalation | > 32700mg/m3/6 (32700mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0537047, |
| mouse | LCLo | inhalation | 32700mg/m3/6H (32700mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0537047, |
| mouse | LD50 | intraperitoneal | 4180mg/kg (4180mg/kg) | Environmental Research. Vol. 9, Pg. 1, 1975. | |
| mouse | LD50 | oral | 4280mg/kg (4280mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | National Technical Information Service. Vol. OTS0540442, |
| rabbit | LD50 | skin | 2600mg/kg (2600mg/kg) | American Industrial Hygiene Association Journal. Vol. 34, Pg. 286, 1973. | |
| rat | LCLo | inhalation | 32700mg/m3/6H (32700mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0537047, |
| rat | LD50 | oral | 1600mg/kg (1600mg/kg) | Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984, |

