CAS 3739-94-4 2,6-Pyridinedicarbonyl dichloride (HCID 77335)

Names & identifiers

Preferred name: 2,6-Pyridinedicarbonyl dichloride
IUPAC: pyridine-2,6-dicarbonyl chloride
English name: 2,6-Pyridinedicarboxylic acid chloride
Molecular formula: C7H3Cl2NO2
Molecular weight: 204.01

Names & synonyms

2,6-Pyridinedicarbonyl dichloridePyridine-2,6-dicarbonyl dichlorideDTXSID70958483EINECS 223-125-4RefChem:83386DTXCID701386387223-125-4GWHOGODUVLQCEB-UHFFFAOYSA-N3739-94-42,6-Pyridinedicarbonyl chloride2,6-Pyridinedicarboxylic acid chloridepyridine-2,6-dicarbonyl chloride

Show more names

2,6-pyridinediformyl chloride2,6-Bis(chlorocarbonyl)pyridinePyridine-2,6-biscarbonyl chloridepyridine-2,6-dicarboyl dichloride(S)-(-)-1-(4-METHOXYPHENYL)ETHANOL2,6-Pyridinebis(carbonyl chloride)

2,6-PyridinedicarboxylicacidchloridePyridine-2,6-dicarboxylic acid chlorideMFCD00006289E781482,6-Pyridinedicarbony chloride2,6-Pyridin2,6-Pyridinedicarboxylic acid dichlorideA823625

Database identifiers

CAS: 3739-94-4
PubChem CID: 77335
DTXSID: DTXSID70958483
EC Number: 223-125-4
Nikkaji: J187B

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 47 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 56 · 56-58 °C (lit.)
Boiling point: 284 °C · 284 °C (lit.)
Density: 1.4521 · 1.4521 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
Flash point: 284 °C · 284°C
storage temp.: 2 · Storage temp. 2-8°C
pka: -2.12 · -2.12±0.10(Predicted)
form: Crystalline Powder, Crystals or Chunks
color: White to brown
Water Solubility: Insoluble in water.
Sensitive: Moisture Sensitive
BRN: 131556 · 131556
InChI: InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H
InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N
SMILES: C1(C(Cl)=O)=NC(C(Cl)=O)=CC=C1
CAS DataBase Reference: 3739 · 3739-94-4(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,6-Pyridinedicarbony chloride(3739-94-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H332-H317-H412
Precautionary statements: 261 · P261-P273-P280-P301+P312-P302+P352-P304+P340+P312
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-24/25
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 InhalationAcute · Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Skin Sens. 1A
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (97.8%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Safety data

F: 10-19-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29333990
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
safety_code: 26-36/37/39-45-24/25
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H302+H332-H317-H412
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Skin Sens. 1A
Precautionary statements: P261-P273-P280-P301+P312-P302+P352-P304+P340+P312

Chemistry & industry

Applications · 2 items

Uses2,6-Pyridinedicarbonyl dichloride can be used as a starting material to synthesize: Pyridine-based polyamido-polyester optically active macrocycles by reacting with chiral diamine dihydrobromides. Pyridine-bridged 2,6-bis-carboxamide Schiff′s bases by treating with L-alanine or 2-methyl-alanine methyl esters. N,N′-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide by reacting with 1-pyrenemethylamine hydrochloride in the presence of a base.

Uses2,6-Pyridinedicarboxylic acid chloride was used as the reagent during the synthesis of pyridine-based polyamido-polyester optically active macrocycles. It was used as starting reagent during the synthesis of pyridine-bridged 2,6-bis-carboxamide Schiff′s bases. It was used in the synthesis of N,N′-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide.