2-부틸-5-니트로벤조푸란

2-Butyl-5-nitrobenzofuran

HCID 9837358CAS 133238-87-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCc1cc2cc([N+](=O)[O-])ccc2o1
InChIKey: XGAJABPTUOLUAE-UHFFFAOYSA-N
분자식: C12H13NO3
평균 분자량: 219.24 g/mol
단동위원소 질량: 219.08954328

이름 및 식별자

우선 이름: 2-Butyl-5-nitrobenzofuran
IUPAC: 2-butyl-5-nitro-1-benzofuran
현지명: 2-부틸-5-니트로벤조푸란
영어명: 2-Butyl-5-nitrobenzofuran
분자식: C12H13NO3
분자량: 219.24

이름 및 동의어

2-BUTYL-5-NITROBENZOFURAN133238-87-62-butyl-5-nitro-1-benzofuranDTXSID40431576RefChem:468125DTXCID30382407603-723-5Benzofuran, 2-butyl-5-nitro-2-n-Butyl-5-nitrobenzofuranMFCD145256242-(n-butyl)-5-nitrobenzofuranSCHEMBL422399

이름 더 보기

2-부틸-5-니트로벤조푸란Dronedarone Impurity 33Dronedarone Intermediate 62-Butyl-5-NIitrobenzofuran5-nitro-2-butyl benzofuran2-Butyl-5-nitrobenzofuran (BNB-IV)2-Butyl-5-nitrobenzofuran CAS 133238-87-6

2-n-butyl 5-nitro benzofuran2-n-butyl-5-nitro-benzofuranAKOS015901846GS-0917SY0337532-butyl-5-nitro-benzofuranDronedarone Impurity 45FT-0664147

데이터베이스 식별자

CAS: 133238-87-6
PubChem CID: 9837358
DTXSID: DTXSID40431576
UNII: 224SAH69HN
EC Number: 603-723-5

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 59 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 251

물리화학적 성질

끓는 점: 329.7 · 329.7±22.0 °C(Predicted)
밀도: 1.191 · 1.191
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 노란색
InChI: InChI=1S/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3
InChIKey: XGAJABPTUOLUAE-UHFFFAOYSA-N
SMILES: O1C2=CC=C([N+]([O-])=O)C=C2C=C1CCCC

화학적 성질

Bright Yellow Low Melting Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.