4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine supplier

Name
4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine
EINECS 406-600-2
CAS No. 89392-03-0
Article Data5
CAS DataBase
Density 1.318 g/cm³
Solubility 61mg/L at 20℃
Melting Point 118.0 to 122.0 °C
Formula C₁₃H₁₃N₃O₄
Boiling Point 250℃[at 101 325 Pa]
Molecular Weight 275.264
Flash Point
Transport Information
Appearance Crystalline powder
Safety 24-37-61
Risk Codes 43-51/53
Molecular Structure
Hazard Symbols Xi,N
Synonyms Carbamicacid, (4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester (9CI);2-Phenoxycarbonylamino-4,6-dimethoxypyrimidine;4,6-Dimethoxy-2-(phenoxycarbonylamino)pyrimidine;N-(4,6-Dimethoxypyrimidin-2-yl)carbamic acid phenyl ester;Phenyl(4,6-dimethoxy-2-pyrimidinyl)carbamate;Phenyl(4,6-dimethoxypyridin-2-yl)carbamate;Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate;
PSA 82.57000
LogP 2.17770

4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine Specification

The Carbamic acid,N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester with the CAS number 89392-03-0 is also called 2-Phenoxycarbonylamino-4,6-dimethoxypyrimidine. The systematic name is phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate. Its molecular formula is C₁₃H₁₃N₃O₄. The EINECS registry number is 406-600-2. The product category is Amines. This chemical is intermediate for the production of Sulfonyl Urea herbicides.

The properties of the Carbamic acid,N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 89; (8)ACD/KOC (pH 7.4): 89; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 82.57Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 71.681 cm³; (15)Molar Volume: 208.855 cm³; (16)Polarizability: 28.417×10^-24cm³; (17)Surface Tension: 53.507 dyne/cm.

While using this chemical, you should be very cautious. This chemical may cause sensitization by skin contact. What's more, it is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should take the following instructions. Firstly, you should avoid this chemical contact with skin. Then you should wear suitable gloves. Finally you should avoid this chemical release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1nc(cc(OC)n1)OC)Oc2ccccc2
(2)InChI: InChI=1/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
(3)InChIKey: MESPVSMSORHLAX-UHFFFAOYAZ

Product Name

4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine

4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine Specification

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