Thiophene, 2,3,5-tribromo-
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Basic information
- CAS
3141-24-0- Standard SMILES
Brc1cc(Br)c(Br)s1- InChIKey
SKDNDSLDRLEELJ-UHFFFAOYSA-N- Molecular formula
- C4HBr3S
- Average molar mass
- 320.83 g/mol
- Monoisotopic mass
- 317.73491
Names & identifiers
- Preferred name
- Thiophene, 2,3,5-tribromo-
- IUPAC
- 2,3,5-tribromothiophene
- English name
- 2,3,5-Tribromothiophene
- Molecular formula
- C4HBr3S
- Molecular weight
- 320.83
Names & synonyms
2,3,5-Tribromothiophene3141-24-0Thiophene, 2,3,5-tribromo-EINECS 221-544-7NSC 263503AI3-62838DTXSID8062862RefChem:897878DTXCID3038357221-544-7MFCD00014521NSC-263503
Show more names
S05072,3,5-Tribromothiop2,3,5-Tribromothioph2,3,5-Triibromothiophn2,3,5-tribromo-thiophen2,3,5-TribromothiophenemThiophene,2,3,5-tribromo-2,3,5-Tribromothiophene,98%
NSC2635032,5-TribromothiopheneHX5MEU6VFTThiophene,3,5-tribromo-2,3,5-Triibromothiophene2,3,5-tribromo thiophene2,3,5-Tribromo-thiopheneSCHEMBL350437
Database identifiers
- CAS
3141-24-0- PubChem CID
- 76592
- DTXSID
DTXSID8062862- UNII
- HX5MEU6VFT
- EC Number
- 221-544-7
- Nikkaji
- J25.466E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 28.2 Ų
- 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
- 25 · 25-28 °C (lit.)
- Boiling point
- 120 °C/11 · 120 °C/11 mmHg (lit.)
- Density
- 2.483 g/mL · 2.483 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.664(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- solid
- Specific Gravity
- 2.483 · 2.483
- color
- White or Colorless to Yellow
- BRN
- 111486 · 111486
- InChI
- InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
- InChIKey
- SKDNDSLDRLEELJ-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2929 6.1/PG 2
- hs_code
- 29349990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H312-H331-H302+H312+H332-H315-H319-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 2,3,5-tribromo-: INACTIVE
Applications
Uses2,3,5-Tribromothiophene was used in the synthesis of 2,5-bis(dicyanomethylene)-3-bromo-2,5-dihydrothiophene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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