2-Amino-4,5-dichloro-3-nitropyridine

HCID 46867660CAS 662116-67-8

기본 정보

표준 SMILES: Nc1ncc(Cl)c(Cl)c1[N+](=O)[O-]
InChIKey: KYVDKOZOAOAFDC-UHFFFAOYSA-N
분자식: C5H3Cl2N3O2
평균 분자량: 208 g/mol
단동위원소 질량: 206.9602317

이름 및 식별자

우선 이름: 2-Amino-4,5-dichloro-3-nitropyridine
IUPAC: 4,5-dichloro-3-nitropyridin-2-amine
영어명: 2-Amino-4,5-dichloro-3-nitropyridine
분자식: C5H3Cl2N3O2
분자량: 208

이름 및 동의어

2-Amino-4,5-dichloro-3-nitropyridineRefChem:463989970-307-04,5-Dichloro-3-nitropyridin-2-amine662116-67-8MFCD151433632-Pyridinamine, 4,5-dichloro-3-nitro-4,5-dichloro-3-nitro-pyridin-2-amine2-amino-3-nitro-4,5-dichloropyridine4,5-Dichloro-3-nitro-pyridin-2-ylamineSCHEMBL209310SCHEMBL30225936

이름 더 보기

2-AMino-4,5-dichloro-3-ni...2-Amino-4,5-dichloro-3-nitropyridine ISO 9001：2015 REACH

DTXSID20676983KYVDKOZOAOAFDC-UHFFFAOYSA-NAKOS016003573AKOS032949957PB213622-amino-4,5-dichloro-3-nitro-pyridineAC-27503AS-33633

데이터베이스 식별자

CAS: 662116-67-8
PubChem CID: 46867660
DTXSID: DTXSID20676983
EC Number: 970-307-0

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 84.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

끓는 점: 337.2 · 337.2±37.0 °C(Predicted)
밀도: 1.723 · 1.723±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -0.86 · -0.86±0.50(Predicted)
InChI: InChI=1S/C5H3Cl2N3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)
InChIKey: KYVDKOZOAOAFDC-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)C(Cl)=C1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.