(5-Bromo-benzo[b]thiophen-2-yl)-methanol

HCID 21844218CAS 13771-72-7
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cc2cc(Br)ccc2s1
InChIKey
KAKXAXVTXCGICU-UHFFFAOYSA-N
Molecular formula
C9H7BrOS
Average molar mass
243.12 g/mol
Monoisotopic mass
241.94009794

Names & identifiers

Preferred name
(5-Bromo-benzo[b]thiophen-2-yl)-methanol
IUPAC
(5-bromo-1-benzothiophen-2-yl)methanol
English name
(5-Bromo-benzo[b]thiophen-2-yl)-methanol
Molecular formula
C9H7BrOS
Molecular weight
243.12

Names & synonyms

13771-72-7(5-Bromo-benzo[b]thiophen-2-yl)-methanol(5-Bromobenzo[b]thiophen-2-yl)methanol(5-bromo-1-benzothiophen-2-yl)methanolMFCD120322795-Bromo-2-(hydroxymethyl)benzo[b]thiophene5-Bromobenzo[b]thiophene-2-methanol; (5-Bromobenzo[b]thien-2-yl)methanol(5-bromo-1-benzothien-2-yl)methanol(5-Bromo-benzo[b]thiophen-2-yl)methanolSCHEMBL3051489SCHEMBL31095741TQP1605
Show more names
5-bromo-benzo[b]thiophene-2-methanolBenzo[b]thiophene-2-methanol, 5-bromo-
KAKXAXVTXCGICU-UHFFFAOYSA-NDTXSID701292744NAA77172(5-bromobenzothiophen-2-yl)methanol5-Bromobenzo[b]thiophene-2-methanolSBB099685AKOS015835886AS-5578

Database identifiers

CAS
13771-72-7
PubChem CID
21844218
DTXSID
DTXSID701292744

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
379.9 · 379.9±27.0 °C(Predicted)
Density
1.699 · 1.699±0.06 g/cm3(Predicted)
pka
13.69 · 13.69±0.10(Predicted)
HazardClass
IRRITANT
HS Code
2934999090 · 2934999090

Safety & regulation

Safety data

hs_code
2934999090
hazard_class
IRRITANT

Chemistry & industry

Applications

Uses5-Bromobenzo[b]thiophene-2-methanol is a pharmacologically active benzo[b]thiophene derivatives.

Upstream & downstream products

Suppliers8 total

杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海芸联医药科技有限公司13120563767 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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