2,6-Dichloroisonicotinonitrile

HCID 735906CAS 32710-65-9

기본 정보

표준 SMILES: N#Cc1cc(Cl)nc(Cl)c1
InChIKey: BTUKLHWINORBTN-UHFFFAOYSA-N
분자식: C6H2Cl2N2
평균 분자량: 173 g/mol
단동위원소 질량: 171.95950342

이름 및 식별자

우선 이름: 2,6-Dichloroisonicotinonitrile
IUPAC: 2,6-dichloropyridine-4-carbonitrile
영어명: 2,6-Dichloroisonicotinonitrile
분자식: C6H2Cl2N2
분자량: 173

이름 및 동의어

2,6-dichloroisonicotinonitrile32710-65-9DTXSID80352877RefChem:248297DTXCID40303941672-068-52,6-dichloropyridine-4-carbonitrile4-Cyano-2,6-dichloropyridine2,6-dichloro-4-cyanopyridine4-pyridinecarbonitrile, 2,6-dichloro-2,6-dichloro-4-pyridinecarbonitrileMFCD00173784

이름 더 보기

2,6-DICHLORO-4-CYANO-PYRIDINE2,6-DICHLOROISONICOTINONNITRILE4-PYRIDINECARBONITRILE,2,6-DICHLORO2,6-Dichloroisonicotinonitrile(WX636167)2,?6-?Dichloropyridine-?4-?carbonitrile 98%2,6-Dichloroisonicotinonitrile ISO 9001：2015 REACH

UD8X86WF78Isonicotinonitrile, 2,6-dichloro-UNII-UD8X86WF78SCHEMBL9019152,6-dichloro-isonicotinonitrileBTUKLHWINORBTN-UHFFFAOYSA-NCL0023SBB055718

데이터베이스 식별자

CAS: 32710-65-9
PubChem CID: 735906
DTXSID: DTXSID80352877
UNII: UD8X86WF78
EC Number: 672-068-5
Nikkaji: J88.819B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 96 °C · 96 °C
끓는 점: 239.4 · 239.4±35.0 °C(Predicted)
밀도: 1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -4.76 · -4.76±0.10(Predicted)
InChI: InChI=1S/C6H2Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H
InChIKey: BTUKLHWINORBTN-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C#N)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

ridadr: 3439
HS 번호: 2933399990
risk_code: 20/21/22
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도2,6-Dichloroisonicotinonitrile is a pyridine compound with diverse chemical reactivity. It is mainly used as an organic synthesis intermediate and a synthetic raw material for pesticide molecules. It can be used in the preparation of pyridine organic ligands and pesticide molecules.