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5-Bromo-2,3-dihydrobenzo[b]furan-7-carbaldehyde

HCID 2794804
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
281678-73-7
Standard SMILES
O=Cc1cc(Br)cc2c1OCC2
InChIKey
LQCBHNHULMHKFB-UHFFFAOYSA-N
Molecular formula
C9H7BrO2
Average molar mass
227.05 g/mol
Monoisotopic mass
225.96294

Names & identifiers

Preferred name
5-Bromo-2,3-dihydrobenzo[b]furan-7-carbaldehyde
IUPAC
5-bromo-2,3-dihydro-1-benzofuran-7-carbaldehyde
English name
5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBALDEHYDE
Molecular formula
C9H7BrO2
Molecular weight
227.05

Names & synonyms

281678-73-75-bromo-2,3-dihydro-1-benzofuran-7-carbaldehyde5-Bromo-2,3-dihydrobenzo[b]furan-7-carbaldehyde5-Bromo-2,3-dihydrobenzofuran-7-carbaldehydeMFCD06200892SCHEMBL1512811DTXSID20383428LQCBHNHULMHKFB-UHFFFAOYSA-NGLA67873SBB097082MS-222445-bromo-2,3-dihydobenzo[b]furan-7-aldehyde
Show more names
7-Benzofurancarboxaldehyde, 5-bromo-2,3-dihydro-5-Bromo-2,3-dihydrobenzo[b]furane-7-carbaldehyde
CS-0233344EN300-132770G30899F651594Z1269155153

Database identifiers

CAS
281678-73-7
PubChem CID
2794804
DTXSID
DTXSID20383428
Nikkaji
J1.288.084G

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
183

Physicochemical properties

storage temp.
2 · 2-8°C, stored under nitrogen
Appearance
Light yellow to yellow Solid
CAS DataBase Reference
281678 · 281678-73-7
Risk Statements
52 · 52

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

risk_code
52

Chemistry & industry

Suppliers13 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海群燊医药科技有限公司15316975816 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
上海晟铱生物科技有限公司021-58957915 17721108391 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

11 records
New reaction record
HRID 313780 reaction equation
HRID 313780As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 389790 reaction equation
HRID 389790As productuspto-grants-2013_02
HRID 389791 reaction equation
HRID 389791As reactantuspto-grants-2013_02
HRID 489358 reaction equation
HRID 489358As reactantuspto-grants-2005_12
HRID 570069 reaction equation
HRID 570069As productuspto-grants-2015_05
HRID 570070 reaction equation
HRID 570070As reactantuspto-grants-2015_05
HRID 959107 reaction equation
HRID 959107As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1223787 reaction equation
HRID 1223787As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
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Compound notes

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