2,3-Diaminopyridine (HCID 9956)

Overview

2,3-Diaminopyridine is an aminopyridine.

Names & identifiers

Preferred name: 2,3-Diaminopyridine
IUPAC: pyridine-2,3-diamine
English name: 2,3-Diaminopyridine
Molecular formula: C5H7N3
Molecular weight: 109.13

Names & synonyms

2,3-Diaminopyridine452-58-42,3-PyridinediaminePyridine, 2,3-diamino-DTXSID0051493CBX394737HNSC-45406DTXCID9030676RefChem:81548207-200-9pyridine-2,3-diamineMFCD00006319

Show more names

3-DiaMinopyridine2,3-diamino-pyridinTIMTEC-BB SBB004339Pyridin-2,3-diaMine2,3-Diaminopyridine99%2,3-Diaminopyridine,98%

Pyridine-2,3-diyldiamine2,3-diamino-pyridineEINECS 207-200-9NSC 45406BRN 0109869UNII-CBX394737H2,3-Pyridinediamine; N2-Benzyl-2,3-pyridinediamine; NSC 45406AI3-52327

Database identifiers

CAS: 452-58-4
PubChem CID: 9956
DTXSID: DTXSID0051493
ChEBI: CHEBI:195591
UNII: CBX394737H
EC Number: 207-200-9
Nikkaji: J79.620D

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.1

Experimental & physicochemical properties

Collision Cross Section118.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0051493]

Physicochemical properties

Melting point: 110 · 110-115 °C (lit.)
Boiling point: 195 °C · 195°C 55mm
Density: 1.1118 · 1.1118 (rough estimate)
refractive index: 1.534 · 1.5340 (estimate)
Flash point: 205 °C · 205 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: 2 O: · H2O: soluble50mg/mL, opaque (brown to very dark brown)
form: Solid
pka: 6.78 · 6.78±0.36(Predicted)
color: Very Dark Brown
Water Solubility: 100 g/L · 100 g/L (20 ºC)
Sensitive: Air Sensitive
BRN: 109869 · 109869
InChI: 1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N
SMILES: Nc1cccnc1N
CAS DataBase Reference: 452 · 452-58-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 394737 H · CBX394737H
NIST Chemistry Reference: 2 · 2,3-Pyridinediamine(452-58-4)
UNSPSC Code: 12352116 · 12352116
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: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi,T
Risk Statements: 22 · 22-36/37/38-25
Safety Statements: 26 · 26-36/37-45-37/39-28A-36
RIDADR: 2811 · UN 2811
WGK Germany: 3 · 3
RTECS: 7548000 · US7548000
F: 9 · 9
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (15.2%)

Safety data

F: 9
PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: US7548000
ridadr: UN 2811
hs_code: 29333999
risk_code: 22-36/37/38-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36/37-45-37/39-28A-36
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: II
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2,3-Diaminopyridine was used in the synthesis of 2,3-diaminopyridinium-4-hydroxybenzoate1. It was used as internal standard in analysis of poly(amidoamine)dendrimers having different terminal functionalities by capillary electrophoresis. It was used as reagent in synthesis of imidazopyridines and organometallic complexes.

General Description2,3-Diaminopyridine forms the bis-condensed Schiff base with salicylaldehyde. It forms charge transfer complex with tetrachloro-p-benzoquinone and tetracyanoethylene.

Upstream & downstream products

Upstream raw materials

Downstream products

4-Azabenzimidazole 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine 8-Chloro-[1,7]naphthyridine 2-(2-Pyridyl)benzimidazole 2-Phenyl-3,5-dihydro-pyrido[3,4-b][1,4]diazepin-4-one 2-Cyclopentyl-1H-imidazo[4,5-b]pyridine IMidazo[1,2-a]pyridin-8-aMine, 2-(trifluoroMethyl)-3H-Imidazo[4,5-b]pyridine-2-methanamine, N-methyl-2-(2,7,9-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-8-yl)acetonitrile Acetamide, N-imidazo[1,2-a]pyridin-8-yl-1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine]2-(3-pyridinyl)-3H-imidazo[4,5-b]pyridine

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

165 records

New reaction record

HRID 4292As reactantuspto-grants-1988_02

HRID 5735As reactantuspto-grants-1993_09

HRID 10698As reactantuspto-grants-2006_08

HRID 14379As reactantuspto-grants-2010_06

HRID 20068As reactantuspto-grants-2010_06

HRID 82573As reactantuspto-grants-2014_09

HRID 101505As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161089As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information