4'-히드록시-3'-니트로아세토페논

4-Hydroxy-3-Nitroacetophenone

HCID 138723CAS 6322-56-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIKey: MMNKVWGVSHRIJL-UHFFFAOYSA-N
분자식: C8H7NO4
평균 분자량: 181.15 g/mol
단동위원소 질량: 181.0375077

이름 및 식별자

우선 이름: 4-Hydroxy-3-Nitroacetophenone
IUPAC: 1-(4-hydroxy-3-nitrophenyl)ethanone
현지명: 4'-히드록시-3'-니트로아세토페논
영어명: 4'-Hydroxy-3'-nitroacetophenone
분자식: C8H7NO4
분자량: 181.15

이름 및 동의어

6322-56-14-Hydroxy-3-NitroacetophenoneDTXSID60212586NSC 32113RefChem:99200DTXCID90135077MMNKVWGVSHRIJL-UHFFFAOYSA-N4'-Hydroxy-3'-nitroacetophenone1-(4-hydroxy-3-nitrophenyl)ethanone4-acetyl-2-nitro-phenol1-(4-hydroxy-3-nitrophenyl)ethan-1-one4-Acetyl-2-nitrophenol

이름 더 보기

4'-히드록시-3'-니트로아세토페논Formoterol Impurity 68Acetophenone Impurity 8-Hydroxy-3-nitroacetophenone3-NITRO-4-HYDROXY ACETOPHENONE3'-NITRO-4'-HYDROXYACETOPHENONE

MFCD00017002Ethanone, 1-(4-hydroxy-3-nitrophenyl)-2-nitro-4-acetylphenolAC-48261-(4-hydroxy-3-nitro-phenyl)-ethanone4'-Hydroxy-3'-nitroacetophenone, 98%4'-Hydroxy-3'-nitroacetophenone, >95%SY018588

데이터베이스 식별자

CAS: 6322-56-1
PubChem CID: 138723
DTXSID: DTXSID60212586
EC Number: 613-183-2
Nikkaji: J478.596G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 223

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 132 · 132-135 °C(lit.)
끓는 점: 314.24 °C · 314.24°C (rough estimate)
밀도: 1.4283 · 1.4283 (rough estimate)
굴절률: 1.5468 · 1.5468 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate
물리적 상태: powder to crystal
산도 계수 (pKa): 5.18 · 5.18±0.14(Predicted)
색상: Light yellow to Amber to Dark green
BRN: 1959078 · 1959078
InChI: 1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3
InChIKey: MMNKVWGVSHRIJL-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(O)c(c1)[N+]([O-])=O
NIST: 4 · 4-Hydroxy-3-nitroacetophenone(6322-56-1)

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.