CAS 2873-18-9 2-Bromo-5-chlorothiophene (HCID 76133)

Names & identifiers

Preferred name: 2-Bromo-5-chlorothiophene
IUPAC: 2-bromo-5-chlorothiophene
English name: 2-Bromo-5-chlorothiophene
Molecular formula: C4H2BrClS
Molecular weight: 197.48

Names & synonyms

2-Bromo-5-chlorothiophene2873-18-9Thiophene, 2-bromo-5-chloro-2-Chloro-5-bromothiophene5-Bromo-2-chlorothiophene47FH8PL6YTEINECS 220-708-5DTXSID70182887RefChem:466788DTXCID10105378220-708-5MFCD00014523

Show more names

2-BROMO-5-CHLOROTHIORivaroxaban Impurity 123α-Bromo-α-chlorothiophene2-CHLORO-5-BROMO THIOPHENEThiophene,2-bromo-5-chloro-2-Bromo-5-chlorothiophene 98%2-Bromo-5-chlorothiophene >2-Bromo-5-chlorothiophene,95%

2-bromo-5-chloro-thiopheneUNII-47FH8PL6YT5-bromo-2-chloro-thiopheneBIDD:GT0079SCHEMBL153465SCHEMBL1561502SCHEMBL216814602-Bromo-5-chlorothiophene, 98%

Database identifiers

CAS: 2873-18-9
PubChem CID: 76133
DTXSID: DTXSID70182887
UNII: 47FH8PL6YT
EC Number: 220-708-5
Nikkaji: J306.791B

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 68.7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear light yellow or pink-orange liquid; [Acros Organics MSDS]

Physicochemical properties

Melting point: -20 °C · -20°C
Boiling point: 69 · 69-70 °C/18 mmHg (lit.)
Density: 1.803 g/mL · 1.803 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.596(lit.)
Flash point: 185 °F · 185 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: liquid
Specific Gravity: 1.803 · 1.803
color: Light yellow to Brown
BRN: 109897 · 109897
InChI: 1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N
SMILES: Clc1ccc(Br)s1
CAS DataBase Reference: 2873 · 2873-18-9(CAS DataBase Reference)
FDA UNII: 47 FH8PL6YT · 47FH8PL6YT
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H302-H312-H331
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P261-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36-24/25
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 29349990 · 29349990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Thiophene.

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29349990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36-24/25
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319-H302-H312-H331
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P261-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Uses2-Bromo-5-chlorothiophene was used in the synthesis of monomer of 1,4-bis(5-chlorothiophene)-buta-1,3-diyne and 5-chloro-2-[(trimethylsilyl)-ethynyl]thiophene.

General Description2-Bromo-5-chlorothiophene is a halogen-substituted thiophene and its photodissociation dynamics was studied by resonance enhanced multiphoton ionization time-of-flight technique. Electrochemical reduction of 2-bromo-5-chlorothiophene at carbon cathode in dimethylformamide containing tetramethylammonium perchlorate was reported.