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Cas Database |
| Name |
Ethyl 2-(4-bromophenyl)-2-diazoacetate |
EINECS | N/A |
| CAS No. | 758692-47-6 | Density | N/A |
| PSA | 63.69000 | LogP | 2.11216 |
| Solubility | N/A | Melting Point |
54 °C |
| Formula | C10H9BrN2O2 | Boiling Point | N/A |
| Molecular Weight | 269.098 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethyl2-(4-bromophenyl)-2-diazoacetate; |
Article Data | 41 |
Ethyl 2-(4-bromophenyl)-2-diazoacetate Specification
The Ethyl 2-(4-bromophenyl)-2-diazoacetate, with cas registry number 758692-47-6, has the systematic name of benzeneacetic acid, 4-bromo-α-diazo-, ethyl ester. And it is also called Ethyl (4-bromophenyl)(diazo)acetate.
Physical properties about this chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.31; (6)ACD/BCF (pH 7.4): 19.31; (7)ACD/KOC (pH 5.5): 289.76; (8)ACD/KOC (pH 7.4): 289.76; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(=[N+]=[N-])c1ccc(cc1)Br
(2)InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)9(13-12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
(3)InChIKey: XWVFDRBGXZRGAE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9(13-12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
(5)Std. InChIKey: XWVFDRBGXZRGAE-UHFFFAOYSA-N
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