2,6-Dichloroisonicotinic acid (HCID 94830)

개요

2,6-dichloroisonicotinic acid is a member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6. It has a role as an EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor. It is a monocarboxylic acid, a member of pyridines and an organochlorine compound.

이름 및 식별자

우선 이름: 2,6-Dichloroisonicotinic acid
IUPAC: 2,6-dichloropyridine-4-carboxylic acid
영어명: 2,6-Dichloroisonicotinic acid
분자식: C6H3Cl2NO2
분자량: 192

이름 및 동의어

2,6-Dichloroisonicotinic acid5398-44-7CHEBI:73179DTXSID20202286RefChem:83190DTXCID201247772,6-dichloroisonicotinic acid;2,6-dichloropyridine-4-carboxylic acid2,6-Dichloropyridine-4-carboxylic acid2,6-Dichloro-4-pyridinecarboxylic acid2,6-Dichloro-isonicotinic acid4-Pyridinecarboxylic acid, 2,6-dichloro-MFCD00234147

이름 더 보기

CGA-41396BUTTPARK 43\57-46AKOS BBS-00006615RARECHEM AL BO 0824TIMTEC-BB SBB0036212,6-dichloroisonicotinicaciDichloropyridinecarboxylicacid2,6-DichloroisonicotinicAcid>

2,6-DichloroisonicotinicacidSCHEMBL562042,6-Dichloroisonicotinic acid #HMS1409C03CS-W007536AC-1716PS-3149NCGC00339059-01

데이터베이스 식별자

CAS: 5398-44-7
PubChem CID: 94830
DTXSID: DTXSID20202286
ChEMBL: CHEMBL2447891
ChEBI: CHEBI:73179
EC Number: 611-076-5
Nikkaji: J81.020G

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 209 · 209-212 °C(lit.)
끓는 점: 437.8 · 437.8±40.0 °C(Predicted)
밀도: 1.612 · 1.612±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 2.63 · 2.63±0.10(Predicted)
색상: 흰색에서 갈색으로
수용성: 불용성
InChI: InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChIKey: SQSYNRCXIZHKAI-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C(O)=O)=C1
NIST: 4 · 4-Pyridinecarboxylic acid, 2,6-dichloro-(5398-44-7)

화학적 성질

off-white to beige or light brownish powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,6-Dichloroisonicotinic acid is a derivative of isonicotinic acid (I821760). Treatment of oat cultivars using 2,6-dichloroisonicotinic acid results in an increased accumulation of avenathramide. 2,6-Dichloroisonicotinic acid is a well known inducer of plant resistance and induces the transcription of ZmNAC100 transcription factor.