3-Pyridinecarboxaldehyde, 2-amino- (HCID 737633)

이름 및 식별자

우선 이름: 3-Pyridinecarboxaldehyde, 2-amino-
IUPAC: 2-aminopyridine-3-carbaldehyde
영어명: 2-Amino-3-pyridinecarboxaldehyde
분자식: C6H6N2O
분자량: 122.12

이름 및 동의어

7521-41-72-Amino-3-pyridinecarboxaldehyde3-Pyridinecarboxaldehyde, 2-amino-DTXSID20226184RefChem:95394DTXCID20148675NXMFJCRMSDRXLD-UHFFFAOYSA-N2-Aminonicotinaldehyde2-aminopyridine-3-carbaldehyde2-Amino-3-formylpyridine2-Aminopyridine-3-carboxaldehyde2-amino-pyridine-3-carbaldehyde

이름 더 보기

3-formylpyridin-2-amine2-aminonicotinaldehyde 12-Aminonicotinaldehyde 99%2-Aminonicotinaldehyde >2-Aminopyridine-3-carboxaL2-AMINO-PYRIDIN-3-CARBALDEHYDE

MFCD018303822-Amino-3-pyridine carboxaldehyde2-amino nicotinaldehyde2-amino-3 formylpyridine2-amino-3-formyl-pyridineSCHEMBL120361orb2940100SCHEMBL5394033

데이터베이스 식별자

CAS: 7521-41-7
PubChem CID: 737633
DTXSID: DTXSID20226184
EC Number: 626-730-5
Nikkaji: J886.528K

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 56 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 98 · 98-102 °C (lit.)
끓는 점: 290.7 · 290.7±25.0 °C(Predicted)
밀도: 1.264 · 1.264±0.06 g/cm3(Predicted)
인화점: 300 ℃ · >300℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 4.99 · 4.99±0.36(Predicted)
물리적 상태: 분말, 결정 및/또는 덩어리
색상: 노란색에서 밝은 갈색까지
수용성: 불용성
BRN: 109598 · 109598
InChI: InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)
InChIKey: NXMFJCRMSDRXLD-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC=C1C=O

화학적 성질

yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
포장분류: II
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

제조 방법 · 1건

Preparative Methods of 2-Amino-3-pyridinecarboxaldehyde: the reagent is best when freshly prepared. A multistep procedure starting from 2-amino-3- picoline has been improved upon by a simple two-step approach. Sulfamation of nicotinamide with ammonium sulfamate (both commercially available) provides 2-(3′-pyridyl)pyrido[2,3-d]pyridimine which may be hydrolyzed in 2 N HCl to provide the reagent (eq 1)[1]. Substituted derivatives of the reagent may be prepared via a similar intermediate.