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(5-Chlorothiophen-2-yl)methanol

HCID 12554178
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Basic information

CAS
74168-69-7
Standard SMILES
OCc1ccc(Cl)s1
InChIKey
WMKPGPCVKFXIHD-UHFFFAOYSA-N
Molecular formula
C5H5ClOS
Average molar mass
148.61 g/mol
Monoisotopic mass
147.97496346

Names & identifiers

Preferred name
(5-Chlorothiophen-2-yl)methanol
IUPAC
(5-chlorothiophen-2-yl)methanol
English name
5-Chlorothiophene-2-ylmethanol
Molecular formula
C5H5ClOS
Molecular weight
148.61

Names & synonyms

(5-Chlorothiophen-2-yl)methanol74168-69-7DTXSID00502337RefChem:209435DTXCID90453147959-970-75-Chlorothiophene-2-ylmethanol5-Chloro-2-thiophenemethanol5-CHLOROTHIOPHENE-2-METHANOLMFCD06202649C5H5ClOS5-CHLOROTHIOPHEN-2-YLMETHANOL
Show more names
(5-Chlorothiophen-2-yl)5-Chlorothiophene-2-metha...(5-chloro-2-thiophenyl)methanol5-Chlorothiophene-2-ylmethanol,96%5-Chlorothiophene-2-ylmethanol ISO 9001:2015 REACH
(5-chloro-2-thienyl)methanol2-Thiophenemethanol, 5-chloro-SCHEMBL2821335-chloro-2-thiophene-methanolSCHEMBL5260460(5-chloro-2-thienyl) methanolWMKPGPCVKFXIHD-UHFFFAOYSA-N(5-chloro-2-thienyl)methan-1-ol

Database identifiers

CAS
74168-69-7
PubChem CID
12554178
DTXSID
DTXSID00502337
EC Number
959-970-7

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
78.8

Physicochemical properties

Boiling point
160 ℃/20Torr · 160℃/20Torr
Density
1.3896 g/cm3 · 1.3896 g/cm3(Temp: 25 °C)
storage temp.
2 · 2-8°C(protect from light)
pka
13.52 · 13.52±0.10(Predicted)
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2934999090 · 2934999090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

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Related reactions

10 records
New reaction record
HRID 583791 reaction equation
HRID 583791As reactantuspto-grants-2005_08
HRID 1432970 reaction equation
HRID 1432970As reactantuspto-grants-2009_11
HRID 1497369 reaction equation
HRID 1497369As reactantuspto-grants-2015_12
HRID 1544374 reaction equation
HRID 1544374As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2202888 reaction equation
HRID 2202888As reactantuspto-grants-2016_06
HRID 2202946 reaction equation
HRID 2202946As reactantuspto-grants-2016_06
HRID 2202961 reaction equation
HRID 2202961As reactantuspto-grants-2016_06
HRID 2202984 reaction equation
HRID 2202984As reactantuspto-grants-2016_06
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Compound notes

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