(4-Bromo-2-thienyl)methanol

HCID 2795484

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 79757-77-0
Standard SMILES: OCc1cc(Br)cs1
InChIKey: PXZNJHHUYJRFPZ-UHFFFAOYSA-N
Molecular formula: C5H5BrOS
Average molar mass: 193.06 g/mol
Monoisotopic mass: 191.92444788

Names & identifiers

Preferred name: (4-Bromo-2-thienyl)methanol
IUPAC: (4-bromothiophen-2-yl)methanol
English name: (4-Bromo-2-thienyl)methanol
Molecular formula: C5H5BrOS
Molecular weight: 193.06

Names & synonyms

(4-BROMO-2-THIENYL)METHANOL4-BROMO-2-THIOPHENEMETHANOLRefChem:402501842-408-9(4-bromothiophen-2-yl)methanol79757-77-04-BROMO-2-(HYDROXYMETHYL)THIOPHENEMFCD04115392(3-bromo-5-thienyl)methanol4-bromo-thiophene-2-methanolDTXSID603837054-BROMOTHIOPHENE-2-METHANOL

Show more names

RARECHEM AL BD 0179(4-BroMothien-2-yl)Methanol

AKOS009097885B5060CS-00425362-Thiophenemethanol, 4-bromo-(4-bromanylthiophenA9929SCHEMBL216983CHEMBL4593260

Database identifiers

CAS: 79757-77-0
PubChem CID: 2795484
DTXSID: DTXSID60383705
ChEMBL: CHEMBL4593260
EC Number: 842-408-9

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 48.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Melting point: 30 °C · 30 °C
Boiling point: 271.5 · 271.5±25.0 °C(Predicted)
Density: 1.772 · 1.772±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Methanol
form: powder to lump
pka: 13.5 · 13.50±0.10(Predicted)
color: White to Orange to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-41-22
Safety Statements: 26 · 26-36/37/39-39
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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