기본 정보
- 표준 SMILES
O=Cc1ccc2ccccc2c1- InChIKey
PJKVFARRVXDXAD-UHFFFAOYSA-N- 분자식
- C11H8O
- 평균 분자량
- 156.18 g/mol
- 단동위원소 질량
- 156.05751488
개요
2-naphthaldehyde is a naphthaldehyde that is naphthalene substituted by a formyl group at position 2. It has a role as a mouse metabolite.
이름 및 식별자
- 우선 이름
- 2-Naphthalenecarboxaldehyde
- IUPAC
- naphthalene-2-carbaldehyde
- 영어명
- 2-Naphthaldehyde
- 분자식
- C11H8O
- 분자량
- 156.18
이름 및 동의어
2-Naphthaldehyde66-99-92-Naphthalenecarboxaldehyde2-Formylnaphthalenebeta-Naphthaldehydebeta-Formylnaphthalenebeta-NaphthylcarboxaldehydeGZX30H50DENSC-8557DTXSID6075352CHEBI:52368RefChem:88449
이름 더 보기
2-NAPHTHALENECARBALDEHYDE2-NaphthaL2-NaphthakdehydeB-NAPHTHALDEHYDENaphthaldehyde,97%2-NAPHTHYLALDEHYDE
DTXCID7044687200-640-2naphthalene-2-carbaldehydenaphthalene-2-carboxaldehyde.beta.-Naphthaldehyde.beta.-Formylnaphthalene2-naphtoaldehyde2-Naphathalenecarboxaldehyde
데이터베이스 식별자
- CAS
66-99-9- PubChem CID
- 6201
- DTXSID
DTXSID6075352- ChEMBL
CHEMBL2289234- ChEBI
CHEBI:52368- UNII
- GZX30H50DE
- EC Number
- 200-640-2
- Nikkaji
- J4.847J
물성
구조 계산 물성
- XLogP
- 3
- 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 -> Aldehydes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionOff-white to light yellow powder and chunks; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 58 · 58-61 °C (lit.)
- 끓는 점
- 160 °C · 160 °C (19 mmHg)
- 밀도
- 1.6211 · 1.6211
- 굴절률
- 1.6211 · 1.6211 (estimate)
- 인화점
- 160 °C/19mm · 160°C/19mm
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름, 메탄올(소량)에 용해됨
- 물리적 상태
- 분말 또는 덩어리
- 색상
- 황백색에서 노란색 또는 밝은 베이지색
- 수용성
- 뜨거운 물에 용해됩니다.
- BRN
- 507750 · 507750
- Henry's Law Constant
- 6 · 6.0×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- InChI
- 1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
- InChIKey
- PJKVFARRVXDXAD-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc2ccccc2c1
- NIST
- 2 · 2-Naphthalenecarboxaldehyde(66-99-9)
- EPA
- 2 · 2-Naphthalenecarboxaldehyde (66-99-9)
화학적 성질
Pink crystalline
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Naphthalenecarboxaldehyde
2-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant and lachrymator; Harmful by ingestion; [Acros Organics MSDS] See Naphthalene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
안전 데이터
- wgk
- 3
- rtecs
- QJ0190010
- ridadr
- UN 3335
- HS 번호
- 29122900
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36-26
- F 고인화성물질
- 10-23
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
응용 분야
용도2-Naphthaldehyde aids in stereo-selective formation of bicyclo 2-siloxy-2-alkoxyoxetanes. It is also used as catalytic agent and petrochemical additive.
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추가 설명
정의ChEBI: A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.
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