4-Bromomethyl-7-acetoxycoumarin

HCID 188296
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Basic information

CAS
2747-04-8
Standard SMILES
CC(=O)Oc1ccc2c(CBr)cc(=O)oc2c1
InChIKey
YDJFMNSSDOXBSR-UHFFFAOYSA-N
Molecular formula
C12H9BrO4
Average molar mass
297.1 g/mol
Monoisotopic mass
295.96842

Names & identifiers

Preferred name
4-Bromomethyl-7-acetoxycoumarin
IUPAC
[4-(bromomethyl)-2-oxochromen-7-yl] acetate
English name
7-ACETOXY-4-BROMOMETHYLCOUMARIN
Molecular formula
C12H9BrO4
Molecular weight
297.1

Names & synonyms

2747-04-84-Bromomethyl-7-acetoxycoumarin2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-(bromomethyl)-DTXSID10181894RefChem:5205124-BMACBrMAC-4,7DTXCID501043857-Acetoxy-4-bromomethylcoumarin4-(bromomethyl)-2-oxo-2h-chromen-7-yl acetate7-Acetoxy-4-(bromomethyl)coumarin[4-(bromomethyl)-2-oxochromen-7-yl] acetate
Show more names
BR-MACTIMTEC-BB SBB0012177-Acetyloxy-4-bromomethylcoumarin4-(BROMOMETHYL)UMBELLIFERYL ACETATE4-BROMOMETHYL-7-ACETOXYCOUMARIN 98+%[4-(bromomethyl)-2-oxo-chromen-7-yl] ethanoate7-Acetyloxy-4-bromomethyl-2H-1-benzopyran-2-one
4-Bromomethyl-7-acetoxy-coumarinMFCD000107077-ACETOXY-4-BROMOMETHYLCOUMARIN [FOR HPLC LABELING]CCRIS 7995SCHEMBL68231orb1941521YDJFMNSSDOXBSR-UHFFFAOYSA-N4-(bromomethyl)-7-acetoxycoumarin

Database identifiers

CAS
2747-04-8
PubChem CID
188296
DTXSID
DTXSID10181894
UNII
A8F79A3785
EC Number
620-658-8
Nikkaji
J207.951H

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
180 · 180-182°C
Boiling point
414.4 · 414.4±45.0 °C(Predicted)
Density
1.589 · 1.589±0.06 g/cm3(Predicted)
solubility
soluble in Chloroform, Ethyl Acetate
form
powder to crystal
color
White to Light yellow

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (100%)

Safety data

ridadr
1759
hs_code
2932.20.4500
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C

Chemistry & industry

Applications

Uses7-ACETOXY-4-BROMOMETHYLCOUMARIN is a fluorescent reagent used for labelling carboxylic acids

Upstream & downstream products

Upstream raw materials

Suppliers33 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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