Basic information
- Standard SMILES
OCc1ccsc1- InChIKey
BOWIFWCBNWWZOG-UHFFFAOYSA-N- Molecular formula
- C5H6OS
- Average molar mass
- 114.17 g/mol
- Monoisotopic mass
- 114.01393581
Overview
3-Thiophenemethanol is a heteroarene.
Names & identifiers
- Preferred name
- Thiophene-3-methanol
- IUPAC
- thiophen-3-ylmethanol
- English name
- 3-Thienylmethanol
- Molecular formula
- C5H6OS
- Molecular weight
- 114.17
Names & synonyms
Show more names
Database identifiers
- CAS
71637-34-8- PubChem CID
- 123570
- DTXSID
DTXSID90221883- ChEMBL
CHEMBL76469- ChEBI
CHEBI:178131- UNII
- J97T96YFJ3
- EC Number
- 275-741-8
- Nikkaji
- J298.979D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Boiling point
- 86 · 86-88 °C/10 mmHg (lit.)
- Density
- 1.211 g/mL · 1.211 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.564(lit.)
- Flash point
- 213 °F · 213 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.49 · 14.49±0.10(Predicted)
- color
- Colorless to Almost colorless
- Water Solubility
- Slightly soluble in water.
- BRN
- 106460 · 106460
- InChI
- InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
- InChIKey
- BOWIFWCBNWWZOG-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1CO
- CAS DataBase Reference
- 71637 · 71637-34-8(CAS DataBase Reference)
- FDA UNII
- 97 T96YFJ3 · J97T96YFJ3
- NIST Chemistry Reference
- 3 · 3-Thiophenemethanol(71637-34-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Applications
Uses3-Thiophenemethanol was used in the preparation of 3-substituted thiophene conducting copolymers which has potential applications in electrochromic displays. It was also used in the synthesis of 4-(thiophene-3-ylmethoxy)phthalonitrile.
General DescriptionComparision of electrochemical polymerization properties of 3-thiophenemethanol and 3-methylthiophene has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: 3-Thiophenemethanol is a heteroarene.
Related reactions
Linked notes
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