2-Butenoic acid,4-(dimethoxyphosphinyl)-, methyl ester supplier

Name
TRIMETHYL 4-PHOSPHONOCROTONATE
EINECS
CAS No. 86120-40-3
Density 1.169 g/cm³
Solubility
Melting Point
Formula C₇H₁₃O₅P
Boiling Point 282.8 °C at 760 mmHg
Molecular Weight 208.1489
Flash Point 138.8 °C
Transport Information
Appearance clear orange liquid
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Dimethoxyphosphoryl)but-2-enoicacid methyl ester;Trimethyl 4-phosphonocrotonate;methyl (2E)-4-(dimethoxyphosphoryl)but-2-enoate;4-Phosphonocrotonic acid trimethyl ester;methyl (E)-4-dimethoxyphosphorylbut-2-enoate;
PSA 71.64000
LogP 1.20150

2-Butenoic acid,4-(dimethoxyphosphinyl)-, methyl ester Specification

The 2-Butenoic acid,4-(dimethoxyphosphinyl)-, methyl ester, with the CAS registry number 86120-40-3, has the systematic name of methyl (2E)-4-(dimethoxyphosphoryl)but-2-enoate. It is a kind of clear orange liquid, and the molecular formula of the chemical is C₇H₁₃O₅P.

The characteristics of 2-Butenoic acid,4-(dimethoxyphosphinyl)-, methyl ester are as followings: (1)ACD/LogP; 0.06; (2)# of Rule of 5 Violations; 0; (3)ACD/LogD (pH 5.5); 0.06; (4)ACD/LogD (pH 7.4); 0.06; (5)ACD/BCF (pH 5.5); 1; (6)ACD/BCF (pH 7.4); 1; (7)ACD/KOC (pH 5.5); 25.68; (8)ACD/KOC (pH 7.4); 25.68; (9)#H bond acceptors; 5; (10)#H bond donors; 0; (11)#Freely Rotating Bonds; 6; (12)Polar Surface Area; 71.64 Å²; (13)Index of Refraction; 1.437; (14)Molar Refractivity; 46.67 cm³; (15)Molar Volume; 178 cm³; (16)Polarizability; 18.5×10^-24cm³; (17)Surface Tension; 35.3 dyne/cm; (18)Density; 1.169 g/cm³; (19)Flash Point; 138.8 °C; (20)Enthalpy of Vaporization; 52.16 kJ/mol; (21)Boiling Point; 282.8 °C at 760 mmHg; (22)Vapour Pressure; 0.00329 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(OC)(OC)C/C=C/C(=O)OC
(2)InChI: InChI=1/C7H13O5P/c1-10-7(8)5-4-6-13(9,11-2)12-3/h4-5H,6H2,1-3H3/b5-4+
(3)InChIKey: PESRINKNQQZURC-SNAWJCMRBD

Product Name

TRIMETHYL 4-PHOSPHONOCROTONATE

2-Butenoic acid,4-(dimethoxyphosphinyl)-, methyl ester Specification

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