Pyridine-4-amidine hydrochloride

HCID 2776844CAS 42518-06-9

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Basic information

Standard SMILES: Cl.N=C(N)c1ccncc1
InChIKey: IONKMFGAXKCLMI-UHFFFAOYSA-N
Molecular formula: C6H8ClN3
Average molar mass: 157.6 g/mol
Monoisotopic mass: 157.040675

Names & identifiers

Preferred name: Pyridine-4-amidine hydrochloride
IUPAC: pyridine-4-carboximidamide;hydrochloride
English name: 4-Amidinopyridinium chloride
Molecular formula: C6H8ClN3
Molecular weight: 157.6

Names & synonyms

42518-06-9RefChem:870749Pyridine-4-amidine hydrochloride692-231-4Isonicotinimidamide hydrochloride6345-27-3Pyridine-4-carboximidamide Hydrochloride4-Amidinopyridine hydrochloride4-AMIDINOPYRIDINIUM CHLORIDEIsonicotinamidine hydrochlorideMFCD00040385pyridine-4-carboxamidine hydrochloride

Show more names

BUTTPARK 32\03-564-methylamidinopyridine chloride4-AMIDINOPYRIDINIUM HYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDE HYDRATE HCL4-PYRIDINECARBOXIMIDAMIDE, HYDROCHLORIDE

4-pyridinecarboximidamide hydrochloride4-AMIDINOPYRIDINE HYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDE HYDROCHLORIDEpyridine-4-carboximidamide;hydrochlorideIsonicotinimidamide xhydrochloride4-Pyridinecarboximidamide, monohydrochlorideIsonicotinimidamide hydrochloride(1:x)SCHEMBL444468pyridine-4-carboximidamide HCl

Database identifiers

CAS: 42518-06-9、6345-27-3
PubChem CID: 2776844
EC Number: 692-231-4

Properties

Computed structural properties

Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 263 °C · 263 °C
storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
InChIKey: IONKMFGAXKCLMI-UHFFFAOYSA-N
SMILES: C(C1=CC=NC=C1)(N)=N.Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
HazardClass: IRRITANT
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501