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CAS No.: | 89392-03-0 |
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Name: | Carbamic acid,N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester |
Article Data: | 5 |
Cas Database | |
Molecular Structure: | |
Formula: | C13H13N3O4 |
Molecular Weight: | 275.264 |
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; |
EINECS: | 406-600-2 |
Density: | 1.318 g/cm3 |
Melting Point: | 118.0 to 122.0 °C |
Boiling Point: | N/A |
Flash Point: | N/A |
Solubility: | N/A |
Appearance: | Crystalline powder |
Hazard Symbols: | Xi,N |
Risk Codes: | 43-51/53 |
Safety: | 24-37-61 |
Transport Information: | N/A |
PSA: | 82.57000 |
LogP: | 2.17770 |
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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