1-아세틸-5-브로모-7-니트로인돌린

1-Acetyl-5-bromo-7-nitroindoline

HCID 2729243CAS 62368-07-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)N1CCc2cc(Br)cc([N+](=O)[O-])c21
InChIKey: RCELVCGNAKOBPO-UHFFFAOYSA-N
분자식: C10H9BrN2O3
평균 분자량: 285.09 g/mol
단동위원소 질량: 283.97965

이름 및 식별자

우선 이름: 1-Acetyl-5-bromo-7-nitroindoline
IUPAC: 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)ethanone
현지명: 1-아세틸-5-브로모-7-니트로인돌린
영어명: 1-Acetyl-5-bromo-7-nitroindoline
분자식: C10H9BrN2O3
분자량: 285.09

이름 및 동의어

62368-07-41-Acetyl-5-bromo-7-nitroindolineDTXSID80369581RefChem:227319DTXCID80320617622-148-01-(5-bromo-7-nitroindolin-1-yl)ethanone1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)ethanoneMFCD000560181-ACETYL-5-BROMO-7-NITRO-2,3-DIHYDRO-1H-INDOLEN-ACETYL-5-BROMO-7-NITRO-INDOLINE1-(5-bromo-7-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one

이름 더 보기

1-아세틸-5-브로모-7-니트로인돌린1-ACETYL-5-BROMO-7-NITR1-ACETYL-5-BROMO-7-NITROINDOLE1-Acetoxy-5-BroMo-7-Nitroindoline1-(5-Bromo-7-nitro-1-indolinyl)ethanone1-Acetyl-5-bromo-7-nitroindoline in stock Factory

Oprea1_712810orb3022917SCHEMBL3071409TPL0077N-acetyl-5-bromo-7-nitroindolineRCELVCGNAKOBPO-UHFFFAOYSA-NCCG-55220SBB066685

데이터베이스 식별자

CAS: 62368-07-4
PubChem CID: 2729243
DTXSID: DTXSID80369581
EC Number: 622-148-0
Nikkaji: J1.068.712H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 318

물리화학적 성질

녹는점: 196 · 196-198°C
끓는 점: 482.8 · 482.8±45.0 °C(Predicted)
밀도: 1.688 · 1.688±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.9 · -2.90±0.20(Predicted)
물리적 상태: solid
BRN: 237670 · 237670
InChI: InChI=1S/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3
InChIKey: RCELVCGNAKOBPO-UHFFFAOYSA-N
SMILES: C(=O)(N1C2=C(C=C(Br)C=C2[N+]([O-])=O)CC1)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (90.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.