Methanone, (4-nitrophenyl)phenyl-

HCID 70839

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1144-74-7
표준 SMILES: O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
분자식: C13H9NO3
평균 분자량: 227.21 g/mol
단동위원소 질량: 227.05824315

이름 및 식별자

우선 이름: Methanone, (4-nitrophenyl)phenyl-
IUPAC: (4-nitrophenyl)-phenylmethanone
영어명: 4-Nitrobenzophenone
분자식: C13H9NO3
분자량: 227.22

이름 및 동의어

4-Nitrobenzophenone1144-74-7p-NitrobenzophenoneMethanone, (4-nitrophenyl)phenyl-4-Nitrophenyl phenyl ketoneBenzophenone, 4-nitro-EINECS 214-542-2NSC 406623DTXSID7061564pNitrobenzophenoneBenzophenone, 4nitroRefChem:811669

이름 더 보기

AKOS BBS-000046104-Nitrobenzophenone>4-Nitrobenzophenone 99%4-Nitrobenzophenone, 98%+4-Nitrobenzophenone, 99+%p-Nitrophenyl phenyl ketone

4Nitrophenyl phenyl ketoneMethanone, (4nitrophenyl)phenylDTXCID9033347214-542-2(4-Nitrophenyl)(phenyl)methanone(4-nitrophenyl)-phenylmethanoneMFCD00007354(4-Nitrophenyl)(phenyl)methanone #

데이터베이스 식별자

CAS: 1144-74-7
PubChem CID: 70839
DTXSID: DTXSID7061564
EC Number: 214-542-2
Nikkaji: J96.223F

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 284

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 136 · 136-138 °C (lit.)
끓는 점: 368.92 °C · 368.92°C (rough estimate)
밀도: 1.406 · 1.4060
굴절률: 1.588 · 1.5880 (estimate)
저장 조건: 30 °C · Store below +30°C.
물리적 상태: powder to crystal
색상: White to Light yellow to Green
BRN: 1912753 · 1912753
InChI: InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
SMILES: C(C1=CC=C([N+]([O-])=O)C=C1)(C1=CC=CC=C1)=O
NIST: Methanone, (4-nitrophenyl)phenyl-(1144-74-7)
EPA: Methanone, (4-nitrophenyl)phenyl- (1144-74-7)

화학적 성질

yellow to light brown fine crystalline powder

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.