Completing data — refresh the page later to see the latest
Basic information
- CAS
1551-27-5- Standard SMILES
CCCc1cccs1- InChIKey
BTXIJTYYMLCUHI-UHFFFAOYSA-N- Molecular formula
- C7H10S
- Average molar mass
- 126.22 g/mol
- Monoisotopic mass
- 126.05032132
Names & identifiers
- Preferred name
- 2-Propylthiophene
- IUPAC
- 2-propylthiophene
- English name
- 2-N-PROPYLTHIOPHENE
- Molecular formula
- C7H10S
- Molecular weight
- 126.22
Names & synonyms
2-Propylthiophene2-n-PropylthiopheneTHIOPHENE, 2-PROPYL-Isopropylthiophene2-propyl-thiophene2-n-PROPYL THIOPHENEUNII-Y6M897104JEINECS 216-288-8NSC-82326Y6M897104JDTXSID50165810NSC 82326
Show more names
thiophene,2-propyl-2-Propylthiophene 97%2-N-PROPYLTHIOPHENE 97%2-Propylthiophene, GC 97%2-N-PROPYLTHIOPHENE ISO 9001：2015 REACH
RefChem:89333DTXCID8088301BTXIJTYYMLCUHI-UHFFFAOYSA-N1551-27-5MFCD000145332-Propyl thiopheneThiophene, propyl-NSC82326
Database identifiers
- CAS
1551-27-5- PubChem CID
- 73771
- DTXSID
DTXSID50165810- UNII
- Y6M897104J
- EC Number
- 216-288-8
- Nikkaji
- J110.630I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 61.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Boiling Point158.00 to 159.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- -51.23 °C · -51.23°C (estimate)
- Boiling point
- 157.5 · 157.5-159.5 °C (lit.)
- Density
- 1.506 g/mL · 1.506 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.506(lit.)
- Flash point
- 112 °F · 112 °F
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- λmax
- 234 nm · 234nm(EtOH)(lit.)
- BRN
- 105753 · 105753
- Henry's Law Constant
- 1.2 · 1.2×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses2-Propylthiophene is a thiophene organic compound that can be used as a pharmaceutical synthesis intermediate.
Preparation methods
Preparation2-N-PROPYLTHIOPHENE can be prepared by first preparing 2-propionylthiophene from thiophene as a reactant, and then further reducing it with hydrazine hydrate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers70 total
国药集团化学试剂有限公司
Related reactions
16 records
Compound notes
Loading…