1-(5-Bromobenzo[b]thiophen-3-yl)ethanone

HCID 617836
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Basic information

CAS
1423-63-8
Standard SMILES
CC(=O)c1csc2ccc(Br)cc12
InChIKey
IRGMTUHYELTYEG-UHFFFAOYSA-N
Molecular formula
C10H7BrOS
Average molar mass
255.13 g/mol
Monoisotopic mass
253.94009794

Names & identifiers

Preferred name
1-(5-Bromobenzo[b]thiophen-3-yl)ethanone
IUPAC
1-(5-bromo-1-benzothiophen-3-yl)ethanone
English name
1-(5-BROMO-1-BENZOTHIEN-3-YL)ETHANONE
Molecular formula
C10H7BrOS
Molecular weight
255.13

Names & synonyms

1423-63-81-(5-Bromobenzo[b]thiophen-3-yl)ethanone1-(5-Bromo-1-benzothien-3-yl)ethanone1-(5-bromo-1-benzothiophen-3-yl)ethan-1-one1-(5-bromo-1-benzothiophen-3-yl)ethanone1-(5-Bromo-benzo[b]thiophen-3-yl)-ethanone3-Acetyl-5-bromobenzo[b]thiopheneMFCD06411546Ethanone, 1-(5-bromobenzo[b]thien-3-yl)-3-Acetyl-5-bromo-benzo[b]thiophene3-Acetyl-5-bromobenzo(b)thiophene1-(5-Bromo-1-benzothien-3-yl)ethan-1-one
Show more names
1-(5-Bromo-1-benzothien-3-yl)ethanone ,97%
1-(5-bromobenzo[b]thiophen-3-yl)ethan-1-oneSCHEMBL6230805DTXSID703470951-(5-Bromo-3-benzothienyl)ethanoneSBB101552AKOS0159098081-(5-bromobenzothiophen-3-yl)ethanoneSB33502

Database identifiers

CAS
1423-63-8
PubChem CID
617836
DTXSID
DTXSID70347095
EC Number
641-218-1
Nikkaji
J1.427.306I

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
112 · 112-113°C
Boiling point
359.7 · 359.7±22.0 °C(Predicted)
Density
1.587 · 1.587±0.06 g/cm3(Predicted)
Risk Statements
20 · 20/21/22
Safety Statements
24 · 24/25-36/37
HS Code
29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
29349990
risk_code
20/21/22
safety_code
24/25-36/37

Chemistry & industry

Upstream & downstream products

Suppliers16 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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