2,3-Dihydrobenzofuran-5-carboxaldehyde

HCID 735901
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Basic information

CAS
55745-70-5
Standard SMILES
O=Cc1ccc2c(c1)CCO2
InChIKey
WEBVDBDZSOJGPB-UHFFFAOYSA-N
Molecular formula
C9H8O2
Average molar mass
148.16 g/mol
Monoisotopic mass
148.05242949

Names & identifiers

Preferred name
2,3-Dihydrobenzofuran-5-carboxaldehyde
IUPAC
2,3-dihydro-1-benzofuran-5-carbaldehyde
English name
2,3-Dihydrobenzo[b]furan-5-carbaldehyde
Molecular formula
C9H8O2
Molecular weight
148.16

Names & synonyms

55745-70-52,3-Dihydrobenzofuran-5-carboxaldehydeEINECS 259-788-1DTXSID60204300RefChem:81723DTXCID20126791259-788-12,3-dihydrobenzo[b]furan-5-carbaldehyde2,3-dihydro-1-benzofuran-5-carbaldehyde2,3-dihydrobenzofuran-5-carbaldehyde2,3-Dihydrobenzo[b]furan-5-carboxaldehydeRamelteon Impurity G
Show more names
2,3-Dihydro-1-benzofuran-5-carboxaldehydeAKOS MSC-07725-ForMylcouMaranBUTTPARK 27\04-60TIMTEC-BB SBB005559Ramelteon Impurity 31CouMarancarboxaldehyde1-(benzofuran-5-yl)ethanone
MFCD000680582,3-Dihydro-benzofuran-5-carbaldehyde5-Coumarancarboxaldehyde2,3-Dihydro-5-formylbenzofuranCS-M26672,3-Dihydro-benzofuran-5carbaldehydeEN300-434072,3-dihyro-1-benzofuran-5-carbaldehyde

Database identifiers

CAS
55745-70-5
PubChem CID
735901
DTXSID
DTXSID60204300
ChEMBL
CHEMBL1650257
EC Number
259-788-1
Nikkaji
J296.486D

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
191 · 191~193℃
Boiling point
88 · 88-89 °C/0.1 mmHg (lit.)
Density
1.177 g/mL · 1.177 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.6000(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C(protect from light)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H334 (93%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.；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 CategoriesResp. Sens. 1 (93%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29329990
risk_code
43
Signal word
Danger
Symbol(GHS)
GHS08,GHS07

Chemistry & industry

Applications

UsesHair dye composition.

Upstream & downstream products

Suppliers100 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]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

91 records
New reaction record

Compound notes

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