CAS 59649-56-8 2,3-Diaminophenol (HCID 579937)

Names & identifiers

Preferred name: 2,3-Diaminophenol
IUPAC: 2,3-diaminophenol
English name: 2,3-Diaminophenol
Molecular formula: C6H8N2O
Molecular weight: 124.14

Names & synonyms

2,3-Diaminophenol59649-56-8DTXSID40975046RefChem:441956DTXCID00863011627-738-1diaminophenolMFCD000751992,3-Diaminophenol, 97%3-hydroxy-o-phenylenediamineCS-W005863AC-24719

Show more names

Phenol, 2,3-diaMino-2,3-DiaMinophenol 97%2,3-Diaminophenol,97%2,3-Diaminophenolsulfate2,3-diaminophenol59649-56-81,2,3,4,5-Cyclopentanepentayl,1-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(R)-(dimethylamino)phenylmethyl]-,ironsalt(2:6)

EN300-1245302,3-DiaminophenBCP175762,3-diamino-phenolAM20040809SCHEMBL190980SCHEMBL420697orb3030127

Database identifiers

CAS: 59649-56-8
PubChem CID: 579937
DTXSID: DTXSID40975046
EC Number: 627-738-1
Nikkaji: J801.832D

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 161 · 161-165 °C (lit.)
Boiling point: 303.6 · 303.6±27.0 °C(Predicted)
Density: 1.343 · 1.343±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.81 · 9.81±0.10(Predicted)
form: Granular or Crystalline Powder or Crystals
color: White
InChI: 1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2
InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N
SMILES: Nc1cccc(O)c1N
CAS DataBase Reference: 59649 · 59649-56-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/22-36/37/38
Safety Statements: 26 · 26
RIDADR: 3259 · UN 3259 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
HS Code: 29222990 · 29222990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 43 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. 4 (97.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29222990
risk_code: 20/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
hazard_class: 8
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H332-H315-H319-H335
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 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2,3-Diaminophenol was used:in one-pot microwave assisted synthesis of amino-1,5-benzoxazepines and hydroxyl-1,5-benzodiazepines in the electrosynthesis of poly(2,3-diaminophenol) via electro-oxidation in a synthesis of tetradentate Schiff base complexes via reaction with salicylaldehyde or 5-bromosalicylaldehyde and metals such as Mn(III), Ni(II) and Cu(II)

General Description2,3-Diaminophenol is an aromatic diamine and forms Pd(II) and Pt(II) complexes. 2,3-Diaminophenol reacts with 2,4-pentanedione to yield the corresponding benzo[b][1,4]diazepinium salts. 2,3-Diaminophenol reacts with salicylaldehyde or 5-bromosalicylaldehyde in absolute ethanol to yield new unsymmetrical Schiff base.