2,3-Diaminopyridine (HCID 9956)

개요

2,3-Diaminopyridine is an aminopyridine.

이름 및 식별자

우선 이름: 2,3-Diaminopyridine
IUPAC: pyridine-2,3-diamine
영어명: 2,3-Diaminopyridine
분자식: C5H7N3
분자량: 109.13

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 64.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.1

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 110 · 110-115 °C (lit.)
끓는 점: 195 °C · 195°C 55mm
밀도: 1.1118 · 1.1118 (rough estimate)
굴절률: 1.534 · 1.5340 (estimate)
인화점: 205 °C · 205 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 2 O: · H2O: 용해성50mg/mL, 불투명(갈색~매우 어두운 갈색)
물리적 상태: 고체
산도 계수 (pKa): 6.78 · 6.78±0.36(Predicted)
색상: 아주 어두운 갈색
수용성: 100 g/L · 100g/L(20℃)
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
NIST: 2 · 2,3-Pyridinediamine(452-58-4)

화학적 성질

Brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (15.2%)

안전 데이터

wgk: 3
rtecs: US7548000
ridadr: UN 2811
HS 번호: 29333999
risk_code: 22-36/37/38-25
hazard_code: Xn,Xi,T
safety_code: 26-36/37-45-37/39-28A-36
포장분류: II
위험 등급: 6.1
F 고인화성물질: 9
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2,3-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.

일반 설명2,3-Diaminopyridine forms the bis-condensed Schiff base with salicylaldehyde. It forms charge transfer complex with tetrachloro-p-benzoquinone and tetracyanoethylene.