ChemicalBook--->CAS DataBase List--->35231-44-8

35231-44-8

35231-44-8 Structure

35231-44-8 Structure
IdentificationMore
[Name]

4-Bromomethyl-7-methoxycoumarin
[CAS]

35231-44-8
[Synonyms]

4-BROMOETHYL-7-METHOXYCOUMARIN
4-BROMOMETHYL-7-METHOXYCOUMARIN
BMC
BR-MMC
4-BROMOMETHYL-7-METHOXYCOUMARIN, FOR FLU ORESCENCE
4-Bromomethyl-7-methoxycoumain
4-BROMOMETHYL-7-METHOXYCOUMARIN (BR-MMC)
BR-MMC (=4-BROMOETHYL-7-METHOXYCOUMARIN)
4-BROMOMETHYL-7-METHOXYCOUMARIN [FOR HPLC LABELING]
Br-Mmc (=4-Bromomethyl-7-methoxycoumarin) [for HPLC Labeling]
BMC, Br-Mmc
2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-methoxy-
4-(Bromomethyl)-7-methoxychromen-2-one
4-(Bromomethyl)-7-methoxy-2H-1-benzopyran-2-one
7-Methoxy-4-bromomethylcoumarin
[EINECS(EC#)]

252-448-3
[Molecular Formula]

C11H9BrO3
[MDL Number]

MFCD00006869
[Molecular Weight]

269.09
[MOL File]

35231-44-8.mol
Chemical PropertiesBack Directory
[Appearance]

Light Green-Yellow Crystals
[Melting point ]

213-215 °C (lit.)
[Boiling point ]

385.3±42.0 °C(Predicted)
[density ]

1.552±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

chloroform: soluble20mg/mL, clear, colorless to faintly yellow
[form ]

Powder and/or Chunks
[color ]

Off-white to light yellow or beige
[Stability:]

Stable, but moisture and light-sensitive. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

insoluble
[Usage]

Used for derivatization, TLC and HPLC separation, and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2
[λmax]

330 nm (MeOH)
[BRN ]

187211
[Biological Applications]

Analyzing/detecting carboxylic acids;analyzing/labeling fatty acids; detecting nitric oxide; detecting/separating bile acids; labeling pyrimidine nucleobases; anticancer agents; biomedical trace analysis; herbicides; as a substrate for measuring histone acetyltransferases (HATs) activity, peptidases activity, sirtuin activity
[Major Application]

Detection of nitrated explosives; measuring ultraviolet ray power; photoacid generators; polyurethane foams; photoresists silica nanoparticles
[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
[SMILES]

COc1ccc2C(CBr)=CC(=O)Oc2c1
[LogP]

2.730 (est)
[CAS DataBase Reference]

35231-44-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

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 ]

III
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromomethyl-7-methoxycoumarin(35231-44-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Light Green-Yellow Crystals
[Uses]

4-Bromomethyl-7-methoxycoumarin has been used:
  • as derivatization reagent in determination of 5-fluorouracil (5-FU) in human plasma by HPLC-tandem mass spectrometry
  • as derivatization reagent in fluorescence detection of sodium monofluoroacetate (MFA-Na) in biological samples by HPLC
  • in the synthesis of new caged derivatives of hydrolysis-resistant 8-bromoadenosine cyclic 3′,5′-monophosphate (8-Br-cAMP) and 8-bromoguanosine cyclic 3′,5′-monophosphate (8-Br-cGMP)
  • in TLC and HPLC separation and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2
[Uses]

4-Bromomethyl-7-methoxycoumarin can be used as fluorescent label for fatty acids. For derivatization, TLC and HPLC separation, and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2.
[Uses]

Used for derivatization, TLC and HPLC separation, and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2
[Purification Methods]

The coumarin crystallises from boiling AcOH; the crystals are washed with AcOH, EtOH and dried in a vacuum; 1HNMR (TFA) 3.97s, 4.57s, 6.62s, 6.92-7.19m and 7.80d. [Secrist et al. Biochem Biophys Res Commun 45 1262 1971, Dünges Anal Chem 49 442 1977, Beilstein 18 III/IV 348.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromomethyl-7-methoxycoumarin(35231-44-8)MS
4-Bromomethyl-7-methoxycoumarin(35231-44-8)1HNMR
4-Bromomethyl-7-methoxycoumarin(35231-44-8)IR1
4-Bromomethyl-7-methoxycoumarin(35231-44-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Bromomethyl)-7-methoxycoumarin, 97%(35231-44-8)
[Sigma Aldrich]

35231-44-8(sigmaaldrich)
[TCI AMERICA]

Br-Mmc  (=4-Bromomethyl-7-methoxycoumarin) [for HPLC Labeling],>98.0%(T)(35231-44-8)
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