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

기본 정보

CAS: 59649-56-8
표준 SMILES: Nc1cccc(O)c1N
InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N
분자식: C6H8N2O
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.06366288

이름 및 식별자

우선 이름: 2,3-Diaminophenol
IUPAC: 2,3-diaminophenol
현지명: 2,3-디아미노페놀
영어명: 2,3-Diaminophenol
분자식: C6H8N2O
분자량: 124.14

이름 및 동의어

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

이름 더 보기

2,3-디아미노페놀Phenol, 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 72.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 161 · 161-165 °C (lit.)
끓는 점: 303.6 · 303.6±27.0 °C(Predicted)
밀도: 1.343 · 1.343±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 9.81 · 9.81±0.10(Predicted)
물리적 상태: 입상 또는 결정질 분말 또는 결정
색상: 하얀색
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

화학적 성질

White to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
ridadr: UN 3259 8/PG 2
HS 번호: 29222990
risk_code: 20/22-36/37/38
hazard_code: Xn
safety_code: 26
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2,3-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)

일반 설명2,3-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.