1-메틸-6-니트로-1H-인다졸

1H-Indazole, 1-methyl-6-nitro-

HCID 81290CAS 6850-23-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ncc2ccc([N+](=O)[O-])cc21
InChIKey: TUWHJYXETJCCPJ-UHFFFAOYSA-N
분자식: C8H7N3O2
평균 분자량: 177.16 g/mol
단동위원소 질량: 177.05382646

이름 및 식별자

우선 이름: 1H-Indazole, 1-methyl-6-nitro-
IUPAC: 1-methyl-6-nitroindazole
현지명: 1-메틸-6-니트로-1H-인다졸
영어명: 1-Methyl-6-nitro-1H-indazole
분자식: C8H7N3O2
분자량: 177.16

이름 및 동의어

1-Methyl-6-nitro-1H-indazole6850-23-31H-Indazole, 1-methyl-6-nitro-NSC 131654DTXSID00218628RefChem:238350DTXCID501411191-methyl-6-nitroindazoleMFCD004561241-methyl-6-nitro-indazole9A5CDA4RL36-Nitro-1-methyl-1H-indazole

이름 더 보기

1-메틸-6-니트로-1H-인다졸e 1-methyL1-Methyl-6-nitro-1H-indaz...1-Methyl-6-nitro-1H-indazole,95%1-methyl-6-nitro-1H-indazole 1-methyl-6-nitro-1H-indazole

NSC131654UNII-9A5CDA4RL3NSC-131654Oprea1_471590SCHEMBL4275151H-Indazole,1-methyl-6-nitro-CHEMBL167331TUWHJYXETJCCPJ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 6850-23-3
PubChem CID: 81290
DTXSID: DTXSID00218628
ChEMBL: CHEMBL167331
UNII: 9A5CDA4RL3
EC Number: 677-013-9
Nikkaji: J1.582.850A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 122 · 122-123°
끓는 점: 332.9 · 332.9±15.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.14 · -1.14±0.30(Predicted)

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.