Basic information
- CAS
5271-67-0- Standard SMILES
O=C(Cl)c1cccs1- InChIKey
QIQITDHWZYEEPA-UHFFFAOYSA-N- Molecular formula
- C5H3ClOS
- Average molar mass
- 146.6 g/mol
- Monoisotopic mass
- 145.9593134
Overview
See also: Thiophene-2-carboxylic acid chloride (annotation moved to).
Names & identifiers
- Preferred name
- 2-Thiophenecarbonyl chloride
- IUPAC
- thiophene-2-carbonyl chloride
- English name
- 2-Thiophenecarbonyl chloride
- Molecular formula
- C5H3ClOS
- Molecular weight
- 146.59
Names & synonyms
2-Thiophenecarbonyl chlorideThiophene-2-carbonyl chloride5271-67-02-Thenoyl chloride2-Thiophenecarbonylchloride2-Thienylcarbonyl chloride2-thiophene carbonyl chlorideMFCD00005428thiophenecarbonyl chloridethenoyl chloridethienoyl chloride2-thenoylchloride
Show more names
2-thiophene chloride2-THIOPHENOYL CHLORIDESKL1317INDIP-024AKOS 92490AKOS BBS-000039242-Theonyl Chloride
a-Thenoyl chloride2-thenoyl-chloride2-thiophenecarboxylic acid chloride2-thienoyl chlorideEINECS 226-092-4Thiophenecarbonylchloride.alpha.-Thenoyl chloride2-thiophencarbonylchloride
Database identifiers
- CAS
5271-67-0- PubChem CID
- 78928
- DTXSID
DTXSID4063749- EC Number
- 226-092-4
- Nikkaji
- J25.467C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 206 · 206-208 °C (lit.)
- Density
- 1.371 g/mL · 1.371 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.590(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform
- form
- Liquid
- Specific Gravity
- 1.371 · 1.371
- color
- Clear colorless to yellow-gray
- Sensitive
- Moisture Sensitive
- BRN
- 110145 · 110145
- InChI
- 1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H
- InChIKey
- QIQITDHWZYEEPA-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1cccs1
- CAS DataBase Reference
- 5271 · 5271-67-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Thiophenecarbonyl chloride(5271-67-0)
- EPA Substance Registry System
- 2 · 2-Thiophenecarbonyl chloride (5271-67-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P305+P351+P338+P310
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29349990 · 29349990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Met · Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- REACH Registrations
- Inactive
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 87 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 18-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/15847
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 8
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29349990
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H290-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiophenecarbonyl chloride: ACTIVE
Applications
Uses2-Thiophenecarbonyl chloride was used in the synthesis of building blocks derived from ornithine by undergoing acylation/sulphonation of copper complex of orthinine.
Uses2-Thiophenecarbonyl Chloride is used in the synthesis of substituted pyridines as selective and highly effective GPR119 agonists. It is also seen in the preparation of diuretics.
General DescriptionThe postfunctionalization reaction of 2-thiophenecarbonyl chloride with single walled carbon nanotubes (SWCNTs) was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
451 records
Compound notes
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