Basic information
- Standard SMILES
NCc1cccs1- InChIKey
FKKJJPMGAWGYPN-UHFFFAOYSA-N- Molecular formula
- C5H7NS
- Average molar mass
- 113.18 g/mol
- Monoisotopic mass
- 113.02992022
Names & identifiers
- Preferred name
- (2-Thienylmethyl)amine
- IUPAC
- thiophen-2-ylmethanamine
- English name
- 2-Thiophenemethylamine
- Molecular formula
- C5H7NS
- Molecular weight
- 113.18
Names & synonyms
Show more names
Database identifiers
- CAS
27757-85-3、55230-88-1、7404-63-9- PubChem CID
- 34005
- DTXSID
DTXSID7075343- ChEMBL
CHEMBL237711- EC Number
- 231-011-0、248-639-6
- Nikkaji
- J88.516I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Boiling point
- 95 · 95-99 °C/28 mmHg (lit.)
- Density
- 1.103 g/mL · 1.103 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5670(lit.)
- Flash point
- 165 °F · 165 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Easily soluble in ethanol and Chloroform.
- pka
- 8.95 · 8.95±0.29(Predicted)
- form
- liquid
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- BRN
- 106296 · 106296
- InChI
- 1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
- InChIKey
- FKKJJPMGAWGYPN-UHFFFAOYSA-N
- SMILES
- NCc1cccs1
- CAS DataBase Reference
- 27757 · 27757-85-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Thiophenemethanamine(27757-85-3)
- EPA Substance Registry System
- 2 · 2-Thiophenemethylamine (27757-85-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45-25
- RIDADR
- 3267 · UN 3267 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29349990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-36/37/39-45-25
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses2-Thiophenemethylamine can be used as areactant involved in synthesis of Triazole-linked-thiopene conjugates and a biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein.
Uses2-Thiophenemethylamine is Reactant involved in synthesis of: Triazole-linked-thiopene conjugates. It is used for biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein.It is a reactant involved in studies of organocatalyzed asymmetric reductive amination of ketones.
UsesReactant involved in synthesis of:Triazole-linked-thiopene conjugates for use as a biomimetic model for studies of metal detoxification and oxidative stress involving metallothioneinSerotonin 5-HT1A receptor antagonists which have neuroprotective affects against ischemic cell damageImidazole- and piperonyl-containing thiadiazoles and pyrimidines for use as inducible oxide synthase dimerization inhibitorsOptoelectronic segmented polyurethanesReactant involved in:Studies of organocatalyzed asymmetric reductive amination of ketonesMetal-free aerobic oxidative coupling of amines to imines
General Description2-Thiophenemethylamine is a potential ligand replacement for poly(3-hexylthiophene)/CdSe hybrid solar cells.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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