Basic information
- CAS
1003-31-2- Standard SMILES
N#Cc1cccs1- InChIKey
CUPOOAWTRIURFT-UHFFFAOYSA-N- Molecular formula
- C5H3NS
- Average molar mass
- 109.15 g/mol
- Monoisotopic mass
- 108.9986201
Overview
2-Thiophenecarbonitrile has been reported in Capparis spinosa with data available.
Names & identifiers
- Preferred name
- 2-Thiophenecarbonitrile
- IUPAC
- thiophene-2-carbonitrile
- English name
- 2-Thiophenecarbonitrile
- Molecular formula
- C5H3NS
- Molecular weight
- 109.15
Names & synonyms
2-ThiophenecarbonitrileThiophene-2-carbonitrile2-ThenylcyanideEINECS 213-706-0CUPOOAWTRIURFT-UHFFFAOYSA-DTXSID10143114RefChem:89464DTXCID9065605213-706-0CUPOOAWTRIURFT-UHFFFAOYSA-NInChI=1/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H1003-31-2
Show more names
TH-CN2-Thienonitrile2-Thienyl cyanide2-Thiophenenitrlie2-Thiophenecarbonitr2-Thienylcarbonitrile
2-CyanothiopheneMFCD00005416Thiophenecarbonitrile2-Thiophene carbonitrile2-thenonitrile2-thiophenenitrile2-cyano-thiophene2-Thiophenonitrile
Database identifiers
- CAS
1003-31-2- PubChem CID
- 66087
- DTXSID
DTXSID10143114- ChEMBL
CHEMBL2229531- EC Number
- 213-706-0
- Nikkaji
- J147.941E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
LogP1.34
Physicochemical properties
- Melting point
- 125 · 125-134 °C (decomp)
- Boiling point
- 192 °C · 192 °C(lit.)
- Density
- 1.172 g/mL · 1.172 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.563(lit.)
- Flash point
- 128 °F · 128 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Liquid
- Specific Gravity
- 1.172 · 1.172
- color
- Clear colorless to yellow
- Water Solubility
- Slightly miscible with water.
- BRN
- 107035 · 107035
- Exposure limits
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
H226 (92%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (92%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-22-37/38-41-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn,Xi,F
- hazard_note
- Harmful
- safety_code
- 26-39-36/37-16-36
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
Chemistry & industry
Applications
Uses2-Thiophenecarbonitrile (2-Cyanothiophene) was used in the preparation of thiaplatinacycles. It was also used in the synthesis of 2,2′-thienylpyrroles.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司
Related reactions
57 records
Compound notes
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