2-Hydroxy-1-naphthaldehyde
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기본 정보
- CAS
708-06-5- 표준 SMILES
O=Cc1c(O)ccc2ccccc12- InChIKey
NTCCNERMXRIPTR-UHFFFAOYSA-N- 분자식
- C11H8O2
- 평균 분자량
- 172.18 g/mol
- 단동위원소 질량
- 172.0524295
개요
2-hydroxy-1-naphthaldehyde is a member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). It is a member of naphthols and a member of naphthaldehydes.
이름 및 식별자
- 우선 이름
- 2-Hydroxy-1-naphthaldehyde
- IUPAC
- 2-hydroxynaphthalene-1-carbaldehyde
- 영어명
- 2-Hydroxy-1-naphthaldehyde
- 분자식
- C11H8O2
- 분자량
- 172.18
이름 및 동의어
2-Hydroxy-1-naphthaldehyde708-06-51-Formyl-2-naphthol1-Naphthalenecarboxaldehyde, 2-hydroxy-2-Hydroxy-1-naphthalaldehyde2-Hydroxy-1-naphthylaldehyde2-Naphthol 1-carboxaldehyde2-Hydroxy-1-naphthalenecarboxaldehydebeta-Hydroxynaphthaldehyde1-Hydroxy-2-naphthalenecarboxaldehydePP9CFN7QNLCHEBI:137369
이름 더 보기
2-Hydroxy-1-napthaldehydeCFL-137AKOS 90775AKOS BBS-00003198TIMTEC-BB SBB0038352-Hydroxy-1-naphthalHydroxy-1-naphthaldeh2-NAPHTHOL-1-ALDEHYDEβ-Naphthol-1-aldehyde
NSC-2104DTXSID9061041NC-014NSC-402586RefChem:473023DTXCID4046812211-902-02-hydroxynaphthalene-1-carbaldehyde
데이터베이스 식별자
- CAS
708-06-5- PubChem CID
- 12819
- DTXSID
DTXSID9061041- ChEMBL
CHEMBL3265255- ChEBI
CHEBI:137369- UNII
- PP9CFN7QNL
- EC Number
- 211-902-0
- Nikkaji
- J40.507H
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 191
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionPowder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 76 · 76-80 °C (lit.)
- 끓는 점
- 192 °C/27 · 192 °C/27 mmHg (lit.)
- 밀도
- 1.1153 · 1.1153 (rough estimate)
- 증기압
- 0.002 Pa · 0.002Pa at 20℃
- 굴절률
- 1.55 · 1.5500 (estimate)
- 인화점
- 191 · 191-193°C/27mm
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 8.27 · 8.27±0.50(Predicted)
- 물리적 상태
- 크리스탈린 모이스트 파우더
- 색상
- 노란색
- 수용성
- 물에 용해됩니다(20°C에서 40g/L).
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (99.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde, 2-hydroxy-
Status: Active Update: 24-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/16591
1-Naphthalenecarboxaldehyde, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes effects on food intake, muscle contraction or spasticity, and dyspnea in intraperitoneal lethal-dose studies of mice and rats; Causes decreased urine volume, changes in clotting factors, and changes in leukocyte count in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAquatic Acute 1 (99.7%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ0300000
- ridadr
- UN 3077 9/PG 3
- HS 번호
- 29124990
- risk_code
- 36/37/38-50/53
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61-24/25-37
화학 및 산업
용도 및 제조
General Manufacturing Information1-Naphthalenecarboxaldehyde, 2-hydroxy-: ACTIVE
응용 분야
용도2-Hydroxy-1-naphthaldehyde is used in Merrified-type synthesis to deterime free amino acid groups in polymers.
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