3-브로모-1,8-나프탈산무수물

5-Bromobenzo[de]isochromene-1,3-dione

HCID 3907491CAS 24050-49-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1OC(=O)c2cc(Br)cc3cccc1c23
InChIKey: LYXFXCSFCWZGNZ-UHFFFAOYSA-N
분자식: C12H5BrO3
평균 분자량: 277.07 g/mol
단동위원소 질량: 275.94220612

이름 및 식별자

우선 이름: 5-Bromobenzo[de]isochromene-1,3-dione
IUPAC: 7-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
현지명: 3-브로모-1,8-나프탈산무수물
영어명: 3-Bromo-1,8-naphthalic anhydride
분자식: C12H5BrO3
분자량: 277.07

이름 및 동의어

24050-49-53-Bromo-1,8-naphthalic anhydride5-Bromobenzo[de]isochromene-1,3-dione5-bromo-1H,3H-benzo[de]isochromene-1,3-dioneMFCD002281627-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione7-bromo-3-oxatricyclo[7.3.1.0?,(1)(3)]trideca-1(13),5,7,9,11-pentaene-2,4-dione5-BROMO-BENZO(DE)ISOCHROMENE-1,3-DIONE5-bromo-1H,3H-Naphtho[1,8-cd]pyran-1,3-dioneSCHEMBL1890003SCHEMBL29713398DTXSID20397888

이름 더 보기

3-브로모-1,8-나프탈산무수물3-Bromo-1,8-phthalic anhydride3-bromonaphthalic-1,8-anhydride2,2'-Biquinoline-4,4'-diyl bis(germane)1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-broMo-7-bromo-3-oxatricyclo[7.3.1.0,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione11-bromo-3-oxatricyclo[7.3.1.0a?μ,?1?3]trideca-1(13),5,7,9,11-pentaene-2,4-dione

LYXFXCSFCWZGNZ-UHFFFAOYSA-NSTK696312AKOS005528273CS-W012311SB36017AS-60795SY238394DB-046333

데이터베이스 식별자

CAS: 24050-49-5
PubChem CID: 3907491
DTXSID: DTXSID20397888
EC Number: 681-858-9

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 341

물리화학적 성질

녹는점: 244 · 244-246°C
끓는 점: 468.9 · 468.9±28.0 °C(Predicted)
밀도: 1.812 · 1.812±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: Store at room temperature
BRN: 180001 · 180001
InChI: InChI=1S/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H
InChIKey: LYXFXCSFCWZGNZ-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)C2=CC(Br)=CC3=C2C1=CC=C3

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.

안전 데이터

risk_code: 36/37/38
safety_code: 26-36

화학 및 산업

응용 분야 · 1건

개요3-Bromo-1,8-naphthalic anhydride is a naphthalic anhydride compound. Its structure incorporates a bromo functional group, meaning this product can participate in various chemical reactions and serve as a synthetic reagent for preparing photocatalysts, pharmaceutical preparations, or other organic heterocyclic compounds.