4-(Thiophen-3-yl)phenol

HCID 4130342

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Basic information

CAS: 29886-67-7
Standard SMILES: Oc1ccc(-c2ccsc2)cc1
InChIKey: OSVHLBAYRTYKBI-UHFFFAOYSA-N
Molecular formula: C10H8OS
Average molar mass: 176.24 g/mol
Monoisotopic mass: 176.02958605

Names & identifiers

Preferred name: 4-(Thiophen-3-yl)phenol
IUPAC: 4-thiophen-3-ylphenol
English name: 4-(Thiophen-3-yl)phenol
Molecular formula: C10H8OS
Molecular weight: 176.23

Names & synonyms

4-(Thiophen-3-yl)phenol29886-67-7DTXSID80399661RefChem:289483DTXCID60350518624-425-14-thiophen-3-ylphenolMFCD067981334-(3-thienyl)phenol4-(Thiophen-3-yl)phenol 974-Thiophen-3-yl-phenolSCHEMBL649500

Show more names

Phenol, 4-(3-thienyl)-4-(THIOPHEN-3-YL)PHENOL 974-(Thiophen-3-yl)phenol 97%

SCHEMBL10933243SCHEMBL29213114OSVHLBAYRTYKBI-UHFFFAOYSA-N4-(Thiophen-3-yl)phenol, 97%AKOS004114138BS-27743CS-0204282H55697

Database identifiers

CAS: 29886-67-7
PubChem CID: 4130342
DTXSID: DTXSID80399661
EC Number: 624-425-1
Nikkaji: J2.974.819E

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 48.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 141

Physicochemical properties

Melting point: 194 · 194-198 °C (lit.)
Boiling point: 276.8 · 276.8±15.0 °C(Predicted)
Density: 1.235 · 1.235±0.06 g/cm3(Predicted)
pka: 9.59 · 9.59±0.13(Predicted)
form: solid
InChI: 1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H
InChIKey: OSVHLBAYRTYKBI-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)-c2ccsc2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.