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CAS No.: | 50543-78-7 |
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Name: | 2,5-DIBUTOXY-4-(4-MORPHOLINYL)BENZENEDIAZONIUM TETRAFLUOROBORATE |
Molecular Structure: | |
Formula: | C18H28BF4N3O3 |
Molecular Weight: | 421.243 |
Synonyms: | 2, 5-Dibutoxy-4-morpholinobenzenediazonium, tetrafluoroborate;Benzenediazonium,2,5-dibutoxy-4-(4- morpholinyl)-,tetrafluoroborate(1-); |
EINECS: | 256-623-5 |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 59.08000 |
LogP: | 5.73058 |
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The 4-Morpholino-2, 5-dibutoxybenzenediazonium tetrafluoroborate, with the CAS registry number 50543-78-7, is also known as 2, 5-Dibutoxy-4-morpholinobenzenediazonium, tetrafluoroborate. It belongs to the product categories of D; Stains and Dyes. Its EINECS registry number is 256-623-5. This chemical's molecular formula is C18H28BF4N3O3 and molecular weight is 421.24. What's more, its IUPAC name is 2, 5-Dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate.
Physical properties about 4-Morpholino-2, 5-dibutoxybenzenediazonium tetrafluoroborate are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 10; (3)Rotatable Bond Count: 9; (4)Exact Mass: 421.215985; (5)MonoIsotopic Mass: 421.215985; (6)Topological Polar Surface Area: 59.1; (7)Heavy Atom Count: 29; (8)Formal Charge: 0; (9)Complexity: 411; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: F[B-](F)(F)F.N#[N+]c2cc(OCCCC)c(N1CCOCC1)cc2OCCCC
(2) InChI: InChI=1/C18H28N3O3.BF4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;/q+1;-1
(3) InChIKey: KTLYRPBETGHXQC-UHFFFAOYAB