Benzo(b)thiophen-4-ol

HCID 19217
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Basic information

CAS
3610-02-4
Standard SMILES
Oc1cccc2sccc12
InChIKey
BMRZGYNNZTVECK-UHFFFAOYSA-N
Molecular formula
C8H6OS
Average molar mass
150.2 g/mol
Monoisotopic mass
150.01393581

Overview

structure in first source

Names & identifiers

Preferred name
Benzo(b)thiophen-4-ol
IUPAC
1-benzothiophen-4-ol
English name
benzo[b]thiophene-4-ol
Molecular formula
C8H6OS
Molecular weight
150.2

Names & synonyms

benzo[b]thiophen-4-olbenzo(b)thiophen-4-olbenzo[b)thiophen-4-olRefChem:118210Benzo[b]thiophene-4-ol3610-02-41-Benzothiophen-4-ol1-Benzothiophene-4-ol4-Hydroxybenzo[b]thiophene4-HYDROXYBENZOTHIOPHENEBenzo(b)thiophene-4-olMFCD01663547
Show more names
SKL548benzothiophen-4-ol4-Hydroxy-1-thiaindene4-Hydroxy-1-benzothiopheneBenzo[b]thiophene-4-ol - [B72350]
4-Hydroxybenzo(b)thiopheneS373YK9TXMBRN 01149044-benzothienolEINECS 222-776-14-hydroxybenzo-thiophene1-Benzothiophen-4-ol #UNII-S373YK9TXM

Database identifiers

CAS
3610-02-4
PubChem CID
19217
DTXSID
DTXSID10189678
UNII
S373YK9TXM
EC Number
222-776-1
Nikkaji
J67.797C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
80 · 80-81℃
Boiling point
241.75 °C · 241.75°C (rough estimate)
Density
1.347 · 1.347
refractive index
1.5831 · 1.5831 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P271-P261-P280

Chemistry & industry

Upstream & downstream products

Suppliers53 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]

Related reactions

25 records
New reaction record

Compound notes

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