2-Bromo-3-(bromomethyl)thiophene
Basic information
- CAS
40032-76-6- Standard SMILES
BrCc1ccsc1Br- InChIKey
ZPWPMAAPQZXPDD-UHFFFAOYSA-N- Molecular formula
- C5H4Br2S
- Average molar mass
- 255.96 g/mol
- Monoisotopic mass
- 253.84005
Names & identifiers
- Preferred name
- 2-Bromo-3-(bromomethyl)thiophene
- IUPAC
- 2-bromo-3-(bromomethyl)thiophene
- English name
- 2-Bromo-3-bromomethylthiophene
- Molecular formula
- C5H4Br2S
- Molecular weight
- 255.96
Names & synonyms
2-bromo-3-(bromomethyl)thiopheneRefChem:466222626-783-440032-76-62-Bromo-3-bromomethylthiopheneMFCD02180908Thiophene, 2-bromo-3-(bromomethyl)-SCHEMBL7253803-bromomethyl-2-bromothiopheneDTXSID80370778AMY420462-Bromo-3-(Bromomethyl) Thiophene
Show more names
2-BroMo-3-broMoMethylthio...2-Bromo-3-(bromomethyl)thiophene 96%
AKOS015835995PB142912-Bromo-3-(bromomethyl)thiophene, 96%AC-29747AS-36532SY041583DB-012650EN300-198005
Database identifiers
- CAS
40032-76-6- PubChem CID
- 2735537
- DTXSID
DTXSID80370778- EC Number
- 626-783-4
- Nikkaji
- J3.392.491G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Boiling point
- 70 · 70-76/0.8mm
- Density
- 1.967 g/mL · 1.967 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.638
- Flash point
- 110 °C · 110 °C
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
- InChIKey
- ZPWPMAAPQZXPDD-UHFFFAOYSA-N
- SMILES
- BrCc1ccsc1Br
- CAS DataBase Reference
- 40032 · 40032-76-6(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 2934999090
- risk_code
- 20/21/22-36/37/38-41-37/38-22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-3-thenyl Bromide was used in preparation of amphiphilic conjugated diblock oligomers as molecular diodes.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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