Basic information
- Standard SMILES
Ic1cccs1- InChIKey
ROIMNSWDOJCBFR-UHFFFAOYSA-N- Molecular formula
- C4H3IS
- Average molar mass
- 210.04 g/mol
- Monoisotopic mass
- 209.9000191
Names & identifiers
- Preferred name
- 2-Iodothiophene
- IUPAC
- 2-iodothiophene
- English name
- 2-Iodothiophene
- Molecular formula
- C4H3IS
- Molecular weight
- 210.04
Names & synonyms
2-IODOTHIOPHENEThiophene, 2-iodo-NSC 1082EINECS 222-342-1DTXSID0063026RefChem:87700DTXCID0038835222-342-1InChI=1/C4H3IS/c5-4-2-1-3-6-4/h1-3ROIMNSWDOJCBFR-UHFFFAOYSA-N3437-95-42-Thienyl iodide
Show more names
2-IODTHIOPHENE2-Iodothyophene2-iodo-thiophenthiophene,2-iodo-2-Iodothiophene>2-Iodine Thiophene2-Iodothiophene, 98+%
2-iodo-thiopheneMFCD00005424alpha-Iodothiophene.alpha.-IodothiopheneIodothiophene149762-92-5Z4KJ38KVA6NSC-1082
Database identifiers
- CAS
3437-95-4- PubChem CID
- 18921
- DTXSID
DTXSID0063026- UNII
- Z4KJ38KVA6
- EC Number
- 222-342-1
- Nikkaji
- J149.961K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -40 °C · -40 °C (lit.)
- Boiling point
- 73 °C/15 · 73 °C/15 mmHg (lit.)
- Density
- 1.902 g/mL · 1.902 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.651(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 1.902 · 1.902
- color
- Clear yellow-green to red-brown
- Sensitive
- Light Sensitive
- BRN
- 104666 · 104666
- InChI
- 1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
- InChIKey
- ROIMNSWDOJCBFR-UHFFFAOYSA-N
- SMILES
- Ic1cccs1
- CAS DataBase Reference
- 3437 · 3437-95-4(CAS DataBase Reference)
- FDA UNII
- 4 KJ38KVA6 · Z4KJ38KVA6
- NIST Chemistry Reference
- 2 · Thiophene, 2-iodo-(3437-95-4)
- EPA Substance Registry System
- 2 · Thiophene, 2-iodo- (3437-95-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-43-20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39-36/37-27
- WGK Germany
- 3 · 3
- F
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- F
- 3
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 22-37/38-41-43-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39-36/37-27
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 2-iodo-: ACTIVE
Applications
Uses2-Iodothiophene was used in the synthesis of (E)-and (Z)-2,3-difluoro-3-aryl substituted acrylic esters. It was also used as monomer in the preparation of thin conductive films via plasma polymerization of 2-iodothiophene.
General DescriptionMechanism of the fluoride-free, palladium-catalyzed cross-coupling reaction of 2-iodothiophene with potassium (E)-heptenyldimethylsilanolate has been investigated. 2-Iodothiophene participates in microwave-enhanced, rapid homogeneous-phase version of the Sonogashira reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
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