Basic information
- Standard SMILES
Cc1ccc(Br)s1- InChIKey
ACDLOOGOFKSUPO-UHFFFAOYSA-N- Molecular formula
- C5H5BrS
- Average molar mass
- 177.06 g/mol
- Monoisotopic mass
- 175.92953
Names & identifiers
- Preferred name
- 2-Bromo-5-methylthiophene
- IUPAC
- 2-bromo-5-methylthiophene
- English name
- 2-Bromo-5-methylthiophene
- Molecular formula
- C5H5BrS
- Molecular weight
- 177.06
Names & synonyms
2-Bromo-5-methylthiophene765-58-2EINECS 212-151-1DTXSID70227308RefChem:466909DTXCID30149799212-151-1Thiophene, 2-bromo-5-methyl-MFCD001301032-bromo-5-methyl-thiophene2-Bromo-5-methyl thiophene2-methyl-5-bromothiphene
Show more names
2-Bromo-5-methylthiobromomethylthiophene5-Methyl-2-bromothiophene5-Bromo-2-methylthiophene2-BROMO-5-METHYLTHIOPHENOL2-BROMO-5-METHYLTHIOPHENE,96%2-BroMo-5-Methylthiophene, 95+%2-Bromo-5-methylthiophene ISO 9001：2015 REACH
2-Bromo-5-methylthiophene #BIDD:GT0754SCHEMBL131605EL6R792B4TSCHEMBL1522530SCHEMBL10441185SCHEMBL10441531SCHEMBL15880159
Database identifiers
- CAS
765-58-2- PubChem CID
- 69831
- DTXSID
DTXSID70227308- UNII
- EL6R792B4T
- EC Number
- 212-151-1
- Nikkaji
- J193.135K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Boiling point
- 65 °C/15 · 65 °C/15 mmHg (lit.)
- Density
- 1.552 g/mL · 1.552 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.569(lit.)
- Flash point
- 173 °F · 173 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid Which May Contain Some Precipitate
- Specific Gravity
- 1.552 · 1.552
- color
- Yellow
- InChI
- InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3
- InChIKey
- ACDLOOGOFKSUPO-UHFFFAOYSA-N
- SMILES
- C1(Br)SC(C)=CC=1
- CAS DataBase Reference
- 765 · 765-58-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P403+P235-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 23 · 23-36/37/39-37/39-26
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-36/37/39-37/39-26
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P403+P235-P501
Chemistry & industry
Applications
Uses2-Bromo-5-methylthiophene is a heterocyclic compound that can be used as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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