4-Bromodibenzo[b,d]furan

HCID 458256CAS 89827-45-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1cccc2c1oc1ccccc12
InChIKey
DYTYBRPMNQQFFL-UHFFFAOYSA-N
Molecular formula
C12H7BrO
Average molar mass
247.09 g/mol
Monoisotopic mass
245.96803

Names & identifiers

Preferred name
4-Bromodibenzo[b,d]furan
IUPAC
4-bromodibenzofuran
English name
4-BROMODIBENZOFURAN
Molecular formula
C12H7BrO
Molecular weight
247.09

Names & synonyms

4-Bromodibenzo[b,d]furan4-Bromodibenzo(b,d)furanRefChem:520497804-402-44-Bromodibenzofuran89827-45-24-bromo-dibenzofuranDibenzofuran, 4-bromo-MFCD001856854-Bromodibenzofuran, 97%DTXSID80332492AC-30335
Show more names
DBF-Br4-BROMO-DIBENZOURAN4-Bromodibenzofuran >4-Bromo-dibenzofuran 97%Tianfu chem 4-BROMODIBENZOFURAN4-Bromo dibenzofuran: (The last part is a typo and can be omitted.)
DS-183196-bromo-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene4-Bromodibenzo[b,d]furan;Dibenzofuran, 4-bromo-Dibenzofuran, 4-romo-FT-0699172SCHEMBL636238SCHEMBL29552175AKOS016005654

Database identifiers

CAS
89827-45-2
PubChem CID
458256
DTXSID
DTXSID80332492
EC Number
804-402-4
Nikkaji
J1.984.010G

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
13.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
14

Experimental & physicochemical properties

Kovats Retention Index1865
Collision Cross Section137.9 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

Physicochemical properties

Melting point
67 · 67-69℃
Boiling point
220 °C · 220 °C(Press: 40 Torr)
Density
1.577 · 1.577
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal
color
White to Light yellow

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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 CategoriesAcute Tox. 4 (97.6%)；Eye Irrit. 2A (97.6%)；Aquatic Chronic 4 (97.6%)

Safety data

wgk
3
hs_code
29329990
risk_code
22-36-53
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

UsesVersatile scaffold to get entry to 4-substituted dibenzofuranes. Substituted dibenzofuranes have utility in semiconductors and OLED applications.

Upstream & downstream products

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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