Basic information
- Standard SMILES
Cl.N=C(N)c1ccccn1- InChIKey
GMHCEDDZKAYPLB-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3
- Average molar mass
- 157.6 g/mol
- Monoisotopic mass
- 157.040675
Names & identifiers
- Preferred name
- Pyridine-2-carboximidamide hydrochloride
- IUPAC
- pyridine-2-carboximidamide;hydrochloride
- English name
- Pyridine-2-carboximidamide hydrochloride
- Molecular formula
- C6H8ClN3
- Molecular weight
- 157.6
Names & synonyms
Show more names
Database identifiers
- CAS
51285-26-8- PubChem CID
- 12403615
- DTXSID
DTXSID30496598- EC Number
- 676-441-3
Properties
Computed structural properties
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 150 · 150-152°C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- crystals
- color
- Off-white
- Sensitive
- Hygroscopic
- BRN
- 3562671 · 3562671
- InChI
- InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
- InChIKey
- GMHCEDDZKAYPLB-UHFFFAOYSA-N
- SMILES
- C(C1N=CC=CC=1)(N)=N.Cl
- CAS DataBase Reference
- 51285 · 51285-26-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39-37
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesPyridine-2-carboximidamide hydrochloride serves as a reactant in the synthesis of 1,4-bis[2,6-bis(2-pyridyl)pyrimidin-4-yl]benzene (L1), reacting with 1,4-bis[3-(pyridine-2-yl)propene-1-one]phenylene in ethanol with potassium hydroxide under reflux[6]. As a monoamidine ligand additive, pyridine-2-carboximidamide hydrochloride is incorporated into perovskite precursor solutions to passivate defect sites in the perovskite film[7].
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
Linked notes
Loading…