Benzo(b)thiophene, 3-bromo-

HCID 123250CAS 7342-82-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1csc2ccccc12
InChIKey
SRWDQSRTOOMPMO-UHFFFAOYSA-N
Molecular formula
C8H5BrS
Average molar mass
213.1 g/mol
Monoisotopic mass
211.92953326

Names & identifiers

Preferred name
Benzo(b)thiophene, 3-bromo-
IUPAC
3-bromo-1-benzothiophene
English name
3-Bromo-1-benzothiophene
Molecular formula
C8H5BrS
Molecular weight
213.1

Names & synonyms

7342-82-73-Bromobenzothiophene3-Bromo-benzo[b]thiopheneBenzo[b]thiophene, 3-bromo-Benzo(b)thiophene, 3-bromo-DTXSID802236543-Bromo-benzo(b)thiopheneRefChem:565171DTXCID10146145680-931-23-Bromobenzo[b]thiophene3-Bromo-1-benzothiophene
Show more names
BUTTPARK 147\16-62BromothianaphtheneTIMTEC-BB SBB0034153-BroMothianaphthene 95%3-Bromo-1-benzothiophenec
3-BromothianaphtheneMFCD00023009Benzo[b]thiophene, 3-bromo-,3-bromo benzo[b]thiopheneBIDD:GT0742SCHEMBL264791B55893-bromo benzothiophene

Database identifiers

CAS
7342-82-7
PubChem CID
123250
DTXSID
DTXSID80223654
EC Number
680-931-2
Nikkaji
J1.051.045G

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
146 · 146-156 °C
Boiling point
269 °C/752.5 · 269 °C/752.5 mmHg (lit.)
Density
1.629 g/mL · 1.629 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.668(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29349990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

UsesAntifungal activity of synthetic di (hetero) arylamines based on the benzo [b] thiophene moiety.

Uses3-Bromothianaphthene may be used in the synthesis of (benzo[b]thiophen-3-yl)trimethylstannane.

General Description3-Bromothianaphthene is a heteroaryl halide. It undergoes Suzuki-Miyaura reaction with phenylboronic acid (PBA) or 3-thienylboronic acid in the presence of a novel heterogeneous Pd catalyst [Pd@PDEB, PDEB=poly(1,3-diethynylbenzene)]. The substitution reaction of 3-bromothianaphthene with piperidine to form 3-piperidinothianaphthene as the major product has been reported.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
长春三邦医药科技有限公司0431-81884431 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Related reactions

93 records
New reaction record

Linked notes

Loading…