나프알데히드(-1)
1-Naphthaldehyde
기본 정보
- CAS
30678-61-6- 표준 SMILES
O=Cc1cccc2ccccc12- InChIKey
SQAINHDHICKHLX-UHFFFAOYSA-N- 분자식
- C11H8O
- 평균 분자량
- 156.18 g/mol
- 단동위원소 질량
- 156.05751487
개요
1-naphthaldehyde is a naphthaldehyde with a formyl group at position 1. It has a role as a mouse metabolite.
이름 및 식별자
- 우선 이름
- 1-Naphthaldehyde
- IUPAC
- naphthalene-1-carbaldehyde
- 현지명
- 나프알데히드(-1)
- 영어명
- 1-Naphthaldehyde
- 분자식
- C11H8O
- 분자량
- 156.18
이름 및 동의어
1-Naphthaldehyde66-77-3naphthalene-1-carbaldehyde1-Formylnaphthalenealpha-Naphthaldehyde1-Naphthylaldehydealpha-Naphthal1-NAPHTHALENECARBOXALDEHYDEalpha-Naphthylaldehydealpha-NaphthylcarboxaldehydeH3I0B5F8SXDTXSID5058775
이름 더 보기
1-나프트알데하이드1-나프토알데하이드나프알데히드(-1)naphthalNaphthalene-1-carboxaldehyde
CHEBI:52367NSC-6106RefChem:434723DTXCID2044686200-633-4Naphthaldehydenaphthalene-1-aldehydeI-Napthaldehyde
데이터베이스 식별자
- CAS
30678-61-6、66-77-3- PubChem CID
- 6195
- DTXSID
DTXSID5058775- ChEMBL
CHEMBL3265260- ChEBI
CHEBI:52367- UNII
- H3I0B5F8SX
- EC Number
- 200-633-4
- Nikkaji
- J4.846A
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 164
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzaldehydes
DrugsPharmaceuticals -> Metabolite of Terbinafine
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionYellow liquid with a pungent odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 1 · 1-2 °C (lit.)
- 끓는 점
- 160 · 160-161 °C/15 mmHg (lit.)
- 밀도
- 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 굴절률
- 20 · n20/D 1.652(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 1 g/L · <1g/L
- 물리적 상태
- 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H290 (41.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde
1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and muscle weakness in oral lethal-dose studies of rats; Dermal LD50 (guinea pig) >20 mL/kg; [RTECS] A skin, respiratory tract, and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Hydroxy-1-naphthaldehyde. See 2-Methylbenzaldehyde.
Hazard Classes and CategoriesMet. Corr. 1 (41.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ0190000
- ridadr
- 3082
- HS 번호
- 29122900
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-24/25-36/37-23-36-16
- 포장분류
- III
화학 및 산업
약리 정보
Metabolism/Metabolites1-Naphtaldehyde has known human metabolites that include 1-Nahthalenethanol and 1-Naphthoic acid.
Cellular LocationsMembrane
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1-Naphthalenecarboxaldehyde: ACTIVE
응용 분야
용도1-Naphthaldehyde is used in the synthesis of single-crystalline homochiral porous metal-organic frameworks (MOFs). It is also a starting material for the Canizzaro reaction to produce 1-Naphthoic acid and 1-Naphthalenemethanol.
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