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| CAS No.: | 35231-44-8 |
|---|---|
| Name: | 4-Bromomethyl-7-methoxycoumarin |
| Article Data: | 24 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H9BrO3 |
| Molecular Weight: | 269.095 |
| Synonyms: | 4-(Bromomethyl)-7-methoxy-2H-chromen-2-one;4-Bromomethyl-7-methoxy-2-oxo-2H-benzopyran;7-Methoxy-4-(bromomethyl)coumarin;4-(Bromomethyl)-7-methoxy-2H-chromene-2-one; |
| EINECS: | 252-448-3 |
| Density: | 1.552 g/cm3 |
| Melting Point: | 213-215 °C(lit.) |
| Boiling Point: | 385.3 °C at 760 mmHg |
| Flash Point: | 186.8 °C |
| Solubility: | insoluble in water |
| Appearance: | Light green-yellow crystals |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-37/39 |
| PSA: | 39.44000 |
| LogP: | 2.69650 |
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Chemistry
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IUPAC Name: 4-(Bromomethyl)-7-methoxychromen-2-one
Empirical Formula: C11H9BrO3
Molecular Weight: 269.0914
Canonical SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)CBr
InChI: InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKey: CTENSLORRMFPDH-UHFFFAOYSA-N
XLogP3: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 252-448-3
Melting Point: 213-215 °C(lit.)
storage temp.: 2-8 °C
Water Solubility: insoluble
Index of Refraction: 1.594
Molar Refractivity: 58.86 cm3
Molar Volume: 173.3 cm3
Surface Tension: 46.8 dyne/cm
Density: 1.552 g/cm3
Flash Point: 186.8 °C
Enthalpy of Vaporization: 63.41 kJ/mol
Boiling Point: 385.3 °C at 760 mmHg
Vapour Pressure: 3.83E-06 mmHg at 25 °C
Stability: Stable, but moisture and light-sensitive. Combustible. Incompatible with strong oxidizing agents.
Product Categories of 4-Bromomethyl-7-methoxycoumarin (CAS NO.35231-44-8): Coumarins; Fluorescent Labels and Indicators; Analytical Chemistry; Carboxyl Group Labeling Reagents for Fluorescence HPLC; Fluorescence Detection (HPLC Labeling Reagents); HPLC Labeling Reagents; Fluorescent Labels & Indicators
Uses
4-Bromomethyl-7-methoxycoumarin (CAS NO.35231-44-8) is used for derivatization, TLC and HPLC separation, and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2.
Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 1759
WGK Germany: 3
HazardClass: 8
PackingGroup of 4-Bromomethyl-7-methoxycoumarin (CAS NO.35231-44-8): III
Specification
4-Bromomethyl-7-methoxycoumarin (CAS NO.35231-44-8), its Synonyms are 4-Bromomethyl-7-methoxy-2-oxo-2H-benzopyran ; 2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-methoxy- ; 4-(Brommethyl)-7-methoxy-2H-chromen-2-on ; 4-(Bromomethyl)-7-methoxy-2H-chromen-2-one ; 4-(Bromométhyl)-7-méthoxy-2H-chromén-2-one . It is light green-yellow crystals.