CAS 22282-72-0 2-Hydroxyisonicotinic Acid (HCID 280756)

기본 정보

CAS: 22282-72-0
표준 SMILES: O=C(O)c1cc[nH]c(=O)c1
InChIKey: BXHCJLRTXPHUGH-UHFFFAOYSA-N
분자식: C6H5NO3
평균 분자량: 139.11 g/mol
단동위원소 질량: 139.02694302

이름 및 식별자

우선 이름: 2-Hydroxyisonicotinic Acid
IUPAC: 2-oxo-1H-pyridine-4-carboxylic acid
영어명: 2-Hydroxyisonicotinic acid
분자식: C6H5NO3
분자량: 139.11

이름 및 동의어

2-Hydroxyisonicotinic acidRefChem:473460835-024-8947-323-122282-72-02-oxo-1,2-dihydropyridine-4-carboxylic acid2-Hydroxy-4-pyridinecarboxylic acid2-HYDROXYPYRIDINE-4-CARBOXYLIC ACID2-Hydroxy-isonicotinic acid2-oxo-1H-pyridine-4-carboxylic acidMFCD013185664-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-

이름 더 보기

RARECHEM AL BO 22912-Hydroxyisonicotini2-Hydroxyisonicotinicaci4-CARBOXY-2(1H)-PYRIDINONE2-Hydroxyisonicotinic acid?New2-HYDROXY-ISONICOTINIC ACID 98%

NSC1328882-Hydroxyisonicitonic AcidAKOS000732735HY-W002765NSC-1328882-Hydroxyisonicotinic acid, AldrichCPRTS-01796Z1416200909

데이터베이스 식별자

CAS: 22282-72-0
PubChem CID: 280756
DTXSID: DTXSID70944942
EC Number: 835-024-8、947-323-1
Nikkaji: J2.088.138K

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 300 · 300
끓는 점: 384 · 384.0±42.0 °C(Predicted)
밀도: 1.451 · 1.451±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 2 · 2+-.0.20(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey: BXHCJLRTXPHUGH-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC(C(O)=O)=C1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
hazard_code: Xi
위험 참고 사항: Irritant/Keep Cold
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Used in the synthesis of selective inhibitors of neuropeptide Y Y5 inhibiting food intake. Also used in the optimization of p-subsite residues of HIV protease inhibitors.