2-Butylbenzofuran

HCID 77951

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4265-27-4
Standard SMILES: CCCCc1cc2ccccc2o1
InChIKey: OVJKFJDEVKABNF-UHFFFAOYSA-N
Molecular formula: C12H14O
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.10446507

Names & identifiers

Preferred name: 2-Butylbenzofuran
IUPAC: 2-butyl-1-benzofuran
English name: 2-Butylbenzofuran
Molecular formula: C12H14O
Molecular weight: 174.24

Names & synonyms

2-Butylbenzofuran4265-27-4Benzofuran, 2-butyl-EINECS 224-250-7DTXSID90195378RefChem:468130DTXCID00117869224-250-72-Butyl-1-benzofuran2-n-Butylbenzo[b]furan2-Butyl-benzofuran2-n-Butylbenzofuran

Show more names

2-ButylButylbenzofurane-butylbenzofuran2-butyl-benzofura2-Butylbenzofurane2-Buthylbenzo【b】furan2-Butylbenzofuran >

2-butylbenzo[b]furanMFCD000058512-n-butylbenzofuraneSCHEMBL1287509OVJKFJDEVKABNF-UHFFFAOYSA-AC-18725B1824EN300-20331

Database identifiers

CAS: 4265-27-4
PubChem CID: 77951
DTXSID: DTXSID90195378
UNII: 3KA2P78NH7
EC Number: 224-250-7
Nikkaji: J150.055D

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 155

Physicochemical properties

Boiling point: 114 · 114-116°C 8mm
Density: 0 · 0,987 g/cm3
refractive index: 1.533 · 1.5330
Flash point: 101 °C · 101°C
form: clear liquid
color: Light yellow to Yellow
Specific Gravity: 0.987 · 0.987
BRN: 1365111 · 1365111
InChI: InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey: OVJKFJDEVKABNF-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C=C1CCCC
CAS DataBase Reference: 4265 · 4265-27-4(CAS DataBase Reference)
FDA UNII: 3 KA2P78NH7 · 3KA2P78NH7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 2932990090 · 2932990090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 13% (6 of 46) of reports.

H413 (84.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 05-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18129

Hazard Classes and CategoriesAquatic Chronic 4 (84.8%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Butylbenzofuran is used in process for prepn. of Amiodarone key intermediate 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

24 records

New reaction record

HRID 114165As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 115407As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 171220As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 286430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 299125As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 735882As reactantuspto-grants-2009_09

HRID 820515As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 900367As reactantuspto-grants-2008_04

Compound notes

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