Basic Information | Post buying leads | Suppliers |
Name |
2H-1-Benzopyran-3-carboxaldehyde,7-methoxy- |
EINECS | N/A |
CAS No. | 57543-39-2 | Density | 1.275 g/cm3 |
PSA | 35.53000 | LogP | 1.66990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10O3 | Boiling Point | 338.7 °C at 760 mmHg |
Molecular Weight | 190.199 | Flash Point | 149.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
7-Methoxy-2h-chromene-3-carbaldehyde;7-methoxy-2h-1-benzopyran-3-carboxaldehyd;7-Methoxy-2H-1-benzopyran-3-carbaldehyde; |
The CAS register number of 2H-1-Benzopyran-3-carboxaldehyde,7-methoxy- is 57543-39-2. It also can be called as 7-Methoxy-2H-1-benzopyran-3-carbaldehyde and the IUPAC name about this chemical is 7-methoxy-2H-chromene-3-carbaldehyde. The molecular formula about this chemical is C11H10O3 and the molecular weight is 190.2. This chemical is irritant.
Physical properties about 2H-1-Benzopyran-3-carboxaldehyde,7-methoxy- are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.16; (5)ACD/BCF (pH 7.4): 28.16; (6)ACD/KOC (pH 5.5): 379.52; (7)ACD/KOC (pH 7.4): 379.52; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 52.91 cm3; (13)Molar Volume: 149.1 cm3; (14)Polarizability: 20.97x10-24cm3; (15)Surface Tension: 53.9 dyne/cm; (16)Density: 1.275 g/cm3; (17)Flash Point: 149.8 °C; (18)Enthalpy of Vaporization: 58.21 kJ/mol; (19)Boiling Point: 338.7 °C at 760 mmHg; (20)Vapour Pressure: 9.66E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C1=C\c2c(OC1)cc(OC)cc2
(2)InChI: InChI=1/C11H10O3/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-6H,7H2,1H3
(3)InChIKey: ODUYMNRQOUHOBN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H10O3/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-6H,7H2,1H3
(5)Std. InChIKey: ODUYMNRQOUHOBN-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 600mg/kg (600mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976. |