Iodopyrazine

HCID 642841

Notes Reactions

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Basic information

CAS: 32111-21-0
Standard SMILES: Ic1cnccn1
InChIKey: OYWPFIUVDKHHGQ-UHFFFAOYSA-N
Molecular formula: C4H3IN2
Average molar mass: 205.98 g/mol
Monoisotopic mass: 205.9340961

Names & identifiers

Preferred name: Iodopyrazine
IUPAC: 2-iodopyrazine
English name: Iodopyrazine
Molecular formula: C4H3IN2
Molecular weight: 205.98

Names & synonyms

IodopyrazineRefChem:791187628-237-02-iodopyrazine32111-21-03211-21-02-Iodo-pyrazineMFCD01319019pyrazine, 2-iodo-iodo-pyrazineIodopyrazine, 97%SCHEMBL5349

Show more names

Iodopyrazine>Iodopyrazine 97%Iodopyrazine,97%2-IODOPYRAZINE 97%2-Iodopyrazine,95%2-Iodo-1,4-diazine2-Iodopyrazine,Iodopyrazine

2-IODO-1,3-DIAZINECHEMBL5408367DTXSID90953990AKOS015853717AC-16631I0837Z1235940810A5778

Database identifiers

CAS: 32111-21-0
PubChem CID: 642841
DTXSID: DTXSID90953990
ChEMBL: CHEMBL5408367
EC Number: 628-237-0
Nikkaji: J980.769A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 57.7

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 90 °C · 90 °C (decomp)
Boiling point: 109 · 109-110 °C34 mm Hg(lit.)
Density: 2.086 g/mL · 2.086 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.655(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -0.85 · -0.85±0.10(Predicted)
form: Crystalline Powder
color: White to pale yellow
Sensitive: Light Sensitive
InChI: InChI=1S/C4H3IN2/c5-4-3-6-1-2-7-4/h1-3H
InChIKey: OYWPFIUVDKHHGQ-UHFFFAOYSA-N
SMILES: C1(I)=NC=CN=C1
CAS DataBase Reference: 32111 · 32111-21-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29339900 · 29339900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.