4-Bromothiophene-2-carbaldehyde

HCID 87792CAS 18791-75-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cc(Br)cs1
InChIKey
PDONIKHDXYHTLS-UHFFFAOYSA-N
Molecular formula
C5H3BrOS
Average molar mass
191.05 g/mol
Monoisotopic mass
189.90879782

Names & identifiers

Preferred name
4-Bromothiophene-2-carbaldehyde
IUPAC
4-bromothiophene-2-carbaldehyde
English name
4-Bromothiophene-2-carboxaldehyde
Molecular formula
C5H3BrOS
Molecular weight
191.05

Names & synonyms

18791-75-84-Bromo-2-thiophenecarboxaldehyde4-Bromothiophene-2-carbaldehydeEINECS 242-577-3DTXSID60172116RefChem:520585DTXCID0094607242-577-34-Bromothiophene-2-carboxaldehyde4-Bromo-2-formylthiophene2-Thiophenecarboxaldehyde, 4-bromo-MFCD00005431
Show more names
TIMTEC-BB SBB0002934-Bromo-2-thiopheneLABOTEST-BB LT001123583-Bromo-5-formylthiophene4-BROMOTHIOPHENE-2-ALDEHYDE4-Bromthiophen-2-carbaldehyd
4-BROMOTHIOPHEN-2-CARBOXALDEHYDE4-bromo-2-thiophenecarbaldehyde4-bromo-thiophene-2-carbaldehyde4-bromo-2-thiophene carboxaldehyde4-bromothiophen -2-carbaldehyde4-bromo-2-thiphenecarboxaldehydeF2189-00333-Bromo-5-thiophenecarboxaldehyde

Database identifiers

CAS
18791-75-8
PubChem CID
87792
DTXSID
DTXSID60172116
EC Number
242-577-3
Nikkaji
J148.042A

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8

Physicochemical properties

Melting point
44 · 44-46 °C (lit.)
Boiling point
114 · 114-115 °C/11 mmHg (lit.)
Density
1.77 · 1.770 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C
solubility
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

Safety data

F
10-23
wgk
3
tsca
N
hs_code
29349990
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications

Uses4-Bromothiophene-2-carboxaldehyde has been used: as building block for the synthesis of tetrahydroisoquinolinones in the synthesis of 3-[(4-bromo-2-thienyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

177 records
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Linked notes

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