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4-Bromomethyl-7-methoxycoumarin

4-Bromomethyl-7-methoxycoumarin structure

CAS No:
35231-44-8
Formula:
C11H9BrO3
Chemical Name:
4-Bromomethyl-7-methoxycoumarin
Synonyms:
2H-1-Benzopyran-2-one,4-(bromomethyl)-7-methoxy-;4-(Bromomethyl)-7-methoxy-2H-1-benzopyran-2-one;4-Bromomethyl-7-methoxy-2-oxo-2H-benzopyran;4-Bromomethyl-7-methoxycoumarin;7-Methoxy-4-(bromomethyl)coumarin;4-(Bromomethyl)-7-methoxy-2H-chromen-2-one;4-(Bromomethyl)-7-methoxy-2H-chromene-2-one;4-(Bromomethyl)-7-methoxychromen-2-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Br-Mmc (4-Bromomethyl-7-methoxycoumarin) is often used as fluorescent label for the determination of compounds possessing a carboxylic group. Br-Mmc is used for the determination fatty acids by TLC or HPLC[1][2][3].

4-Bromomethyl-7-methoxycoumarin Basic Attributes

Molecular Weight：

269.09

Exact Mass：

269.09

EC Number：

252-448-3

DSSTox ID：

DTXSID70188723

HScode：

2932209090

Characteristics

PSA：

35.5

XLogP3：

2.4

Appearance：

Off-white to light yellow or beige Powder and/or Chunks

Density：

1.6±0.1 g/cm3

Melting Point：

204 °C

Boiling Point：

385.3°C at 760 mmHg

Flash Point：

186.8±27.9 °C

Refractive Index：

1.595

Water Solubility：

H2O: insoluble ;chloroform: soluble 20mg/mL, clear, colorless to faintly yellow

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1759

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36-37/39

Marks：

Xi,Xn

Stability/Shelf Life：

Stable, but moisture and light-sensitive. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-(bromomethyl)-7-methoxy-2-oxo-2H-benzopyran

4-Bromomethyl-7-methoxycoumarin Use and Manufacturing

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

Computed Properties

Molecular Weight:269.09
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:267.97351
Monoisotopic Mass:267.97351
Topological Polar Surface Area:35.5
Heavy Atom Count:15
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Bromomethyl-7-methoxycoumarin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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4-Bromomethyl-7-methoxycoumarin

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