(5-Bromo-3-benzo[b]thienyl)methanol

HCID 7537500
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Basic information

CAS
852180-52-0
Standard SMILES
OCc1csc2ccc(Br)cc12
InChIKey
MYIMGJBVLBPXGC-UHFFFAOYSA-N
Molecular formula
C9H7BrOS
Average molar mass
243.12 g/mol
Monoisotopic mass
241.94009794

Names & identifiers

Preferred name
(5-Bromo-3-benzo[b]thienyl)methanol
IUPAC
(5-bromo-1-benzothiophen-3-yl)methanol
English name
(5-BROMO-3-BENZO[B]THIENYL)METHANOL
Molecular formula
C9H7BrOS
Molecular weight
243.12

Names & synonyms

852180-52-0(5-Bromo-3-benzo[b]thienyl)methanol(5-bromobenzo[b]thiophen-3-yl)methanol(5-bromo-1-benzothiophen-3-yl)methanolBenzo[b]thiophene-3-methanol,5-bromo-MFCD08060475SCHEMBL22170425-bromobenzothiophene-3-methanolDTXSID20428727(5-Bromo-3-benzothienyl)methanolMYIMGJBVLBPXGC-UHFFFAOYSA-N(5-bromobenzothiophen-3-yl)methanol
Show more names
(5-Bromo-3-benzo[b]thienyl)methanol 95%(5-Bromo-3-benzo[b]thienyl)methanol ,97%
SBB099686AKOS024110865AS-63469SY064586(5-Bromo-benzo[b]thiophen-3-yl)-methanolDB-010580(5-bromobenzo[b]thiophen-3-yl)methan-1-olCS-0322330

Database identifiers

CAS
852180-52-0
PubChem CID
7537500
DTXSID
DTXSID20428727

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
79 °C · 79 °C
Boiling point
379.9 · 379.9±27.0 °C(Predicted)
Density
1.699 · 1.699±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
14.22 · 14.22±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

hs_code
29349990

Chemistry & industry

Upstream & downstream products

Suppliers10 total

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]

Related reactions

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Compound notes

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