2,3,4-Tribromothiophene

HCID 76593CAS 3141-25-1

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1csc(Br)c1Br
InChIKey: ZDXQFDMBZUQHOM-UHFFFAOYSA-N
Molecular formula: C4HBr3S
Average molar mass: 320.83 g/mol
Monoisotopic mass: 317.73490733

Names & identifiers

Preferred name: 2,3,4-Tribromothiophene
IUPAC: 2,3,4-tribromothiophene
English name: 2,3,4-Tribromothiophene
Molecular formula: C4HBr3S
Molecular weight: 320.83

Names & synonyms

2,3,4-Tribromothiophene3141-25-1EINECS 221-545-2DTXSID90185335RefChem:81306DTXCID00107826221-545-2ZDXQFDMBZUQHOM-UHFFFAOYSA-NThiophene, 2,3,4-tribromo-tribromothiopheneMFCD00041210BUTTPARK 29\09-41

Show more names

Acenocoumarol Impurity 182,3,4-TRIBROMOTHIOPHENE 95%carbamic acid [carbamoyloxymethyl(dimethyl)silyl]methyl ester

3,4,5-tribromothiophene9J2JT725UESCHEMBL1177678SCHEMBL16293672,3,4-Tribromothiophene,97%SALOR-INT L132055-1EACS1035AKOS015834939

Database identifiers

CAS: 3141-25-1
PubChem CID: 76593
DTXSID: DTXSID90185335
UNII: 9J2JT725UE
EC Number: 221-545-2
Nikkaji: J150.841E

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 87.4

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 43 · 43-45°C
Boiling point: 150 · 150-152°C 20mm
Density: 2.516 · 2.516±0.06 g/cm3(Predicted)
Flash point: 150 · 150-152°C/20mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Appearance: White to off-white Solid
BRN: 111770 · 111770
CAS DataBase Reference: 3141 · 3141-25-1(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,3,4-Tribromothiophene(3141-25-1)
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P280h-P301+P312a-P304+P340-P321-P501a
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 22 · 22-36/37
RIDADR: 2811 · 2811
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Safety data

ridadr: 2811
hs_code: 2934999090
risk_code: 20/21/22
Signal word: Danger
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-36/37
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H332
Precautionary statements: P261-P280h-P301+P312a-P304+P340-P321-P501a

Chemistry & industry

Applications · 1 item

Uses2,3,4-Tribromothiophene (CAS# 3141-25-1) can be used in various applications in synthesis of thiophene-fused dinapthopentaphene. It can also be used for synergy in electrocatalysis, for instance, electrocatalytic reduction on gold and silver electrodes.