2-Chlorothiophene
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Basic information
- CAS
96-43-5- Standard SMILES
Clc1cccs1- InChIKey
GSFNQBFZFXUTBN-UHFFFAOYSA-N- Molecular formula
- C4H3ClS
- Average molar mass
- 118.59 g/mol
- Monoisotopic mass
- 117.96439878
Names & identifiers
- Preferred name
- 2-Chlorothiophene
- IUPAC
- 2-chlorothiophene
- English name
- 2-Chlorothiophene
- Molecular formula
- C4H3ClS
- Molecular weight
- 118.58
Names & synonyms
2-CHLOROTHIOPHENE96-43-52-Thienyl chlorideThiophene, 2-chloro-3EVV74IJN6NSC 8747NSC-8747EINECS 202-505-3DTXSID8059132RefChem:470540DTXCID9048982202-505-3
Show more names
orothiophene2-Chlorthiophen2-Chlorothiphene2-Chlrothiophene2-chloro-thiophenthiophene,2-chloro-
MFCD00005421Rivaroxaban Impurity 36chlorothiophene2-Thienyl chloride; Chlorothiophen2-Chlorothiophene; 2-Thienyl chloride; NSC 8747Thienyl chloride5-chlorothiopheneNSC8747
Database identifiers
- CAS
96-43-5- PubChem CID
- 7299
- DTXSID
DTXSID8059132- UNII
- 3EVV74IJN6
- EC Number
- 202-505-3
- Nikkaji
- J48.865H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- 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 PropertiesSchoenflies notation
LogP2.54
Physicochemical properties
- Melting point
- -71.9 °C · -71.9 °C
- Boiling point
- 127 · 127-129 °C (lit.)
- Density
- 1.286 g/mL · 1.286 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.547(lit.)
- Flash point
- 73 °F · 73 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Chloroform
- form
- Liquid
- color
- Clear colorless to light brown
- Specific Gravity
- 1.286 · 1.286
- Water Solubility
- INSOLUBLE
- BRN
- 104652 · 104652
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
H225 (10.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Thiophene, 2-chloro-
Status: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20026
Hazard Classes and CategoriesFlam. Liq. 2 (10.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XM8575000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-36/37/38-23/24/25-37
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS06
- hazard_code
- Xi,F,T
- hazard_note
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 2-chloro-: ACTIVE
Applications
Uses2-Chlorothiophene was used in the preparation of 5-phenylthiophene derivative.
General DescriptionThe photodissociation dynamics of 2-chlorothiophene was studied using resonance enhanced multiphoton ionization (REMPI) time-of-flight (TOF) technique.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
60 records
Compound notes
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