5-니트록신돌

5-Nitro-2-oxindole

HCID 230366CAS 20870-79-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1Cc2cc([N+](=O)[O-])ccc2N1
InChIKey: JQCGHRDKVZPCRO-UHFFFAOYSA-N
분자식: C8H6N2O3
평균 분자량: 178.14 g/mol
단동위원소 질량: 178.03784205

이름 및 식별자

우선 이름: 5-Nitro-2-oxindole
IUPAC: 5-nitro-1,3-dihydroindol-2-one
현지명: 5-니트록신돌
영어명: 5-Nitrooxindole
분자식: C8H6N2O3
분자량: 178.15

이름 및 동의어

5-Nitro-2-oxindoleRefChem:537408628-016-95-Nitrooxindole20870-79-55-nitroindolin-2-one5-nitro-1,3-dihydro-2H-indol-2-one5-NITRO-2,3-DIHYDRO-1H-INDOL-2-ONEMFCD004569995-nitro-1,3-dihydroindol-2-one2H-Indol-2-one, 1,3-dihydro-5-nitro-5-NITRO-2-INDOLINONE

이름 더 보기

5-니트록신돌B71139NSC 25199NSC 990665-Nitrooxidole5-Nitrooxindole 96%5-nitro-1H-indol-2-ol

5-Nitro-1,3-dihydroindole-2-one5-NitroindolinonNCIOpen2_002205SCHEMBL19954DTXSID50282253NSC25199STR08878NSC-25199

데이터베이스 식별자

CAS: 20870-79-5
PubChem CID: 230366
DTXSID: DTXSID50282253
EC Number: 628-016-9
Nikkaji: J753.795F

물성

구조 계산 물성

XLogP: 1
극성 표면적: 74.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 233 · 233-236 °C
끓는 점: 411.4 · 411.4±45.0 °C(Predicted)
밀도: 1.449 · 1.449±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 12.61 · 12.61±0.20(Predicted)
물리적 상태: 고체
색상: 베이지색
InChI: 1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)
InChIKey: JQCGHRDKVZPCRO-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc2NC(=O)Cc2c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 42 reports by companies from 5 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: 2933790090
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

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