5-Chlorobenzo[b]thiophene-3-methanol

HCID 2776136
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Basic information

CAS
306934-93-0
Standard SMILES
OCc1csc2ccc(Cl)cc12
InChIKey
PUSCUZZEDIEHOQ-UHFFFAOYSA-N
Molecular formula
C9H7ClOS
Average molar mass
198.67 g/mol
Monoisotopic mass
197.99061352

Names & identifiers

Preferred name
5-Chlorobenzo[b]thiophene-3-methanol
IUPAC
(5-chloro-1-benzothiophen-3-yl)methanol
English name
(5-Chloro-1-benzothiophen-3-yl)methanol
Molecular formula
C9H7ClOS
Molecular weight
198.67

Names & synonyms

306934-93-05-Chlorobenzo[b]thiophene-3-methanol5-Chlorobenzo(b)thiophene-3-methanolRefChem:534948108-271-8(5-chloro-1-benzothiophen-3-yl)methanol(5-Chlorobenzo[b]thiophen-3-yl)methanolMFCD02677741Benzo[b]thiophene-3-methanol, 5-chloro-Benzo[b]thiophene-3-methanol,5-chloro-orb3031115SCHEMBL2094708
Show more names
RARECHEM AL BD 13125-CHLORO-3-(HYDROXYMETHYL)BENZOTHIOPHENE(5-CHLORO-1-BENZOTHIOPHENE-3-YL)METHANOL(5-Chloro-1-benzothiophen-3-yl)methanol ,97%
SCHEMBL2949120DTXSID30379832PUSCUZZEDIEHOQ-UHFFFAOYSA-NFr128835-chloro-1-benzothien-3-ylmethanolSBB092392(5-chlorobenzothiophen-3-yl)methanolAKOS006228246

Database identifiers

CAS
306934-93-0
PubChem CID
2776136
DTXSID
DTXSID30379832
EC Number
108-271-8
Nikkaji
J3.427.902K

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

Boiling point
358.6 · 358.6±27.0 °C(Predicted)
Density
1.431 · 1.431±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
14.24 · 14.24±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
29349990
risk_code
22-36-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-37/39

Chemistry & industry

Upstream & downstream products

Suppliers6 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
苏州美迪森诺医药科技有限公司13771642864
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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