1-Naphthaldehyde (HCID 6195)

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-Naphthylcarboxaldehydealpha-NaphthylaldehydeH3I0B5F8SXDTXSID5058775

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 Å²
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

Physical DescriptionYellow liquid with a pungent odor; [Alfa Aesar MSDS]

Kovats Retention Index · 3건

1467

249.26；257.4

2364

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
Specific Gravity: 1.15 · 1.15
색상: 투명한 노란색에서 어두운 황갈색까지
수소이온지수(pH): 7 · 7 (< 1g/l, H2O, 20℃)
수용성: 에탄올, 에테르, 아세톤, 벤젠에 용해됩니다. 물에 불용성.
BRN: 386082 · 386082
InChI: 1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChIKey: SQAINHDHICKHLX-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc2ccccc12
NIST: 1 · 1-Naphthalenecarboxaldehyde(66-77-3)
EPA: 1 · 1-Naphthaldehyde (66-77-3)

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (41.4%): May be corrosive to metals [Warning Corrosive to Metals]；H301 (42.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (56.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (42.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (41.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (41.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H412 (41.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: 1-Naphthalenecarboxaldehyde

1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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%)；Acute Tox. 3 (42.1%)；Acute Tox. 4 (56.4%)；Acute Tox. 4 (42.9%)；Skin Corr. 1A (41.4%)；Skin Irrit. 2 (11.3%)；Eye Dam. 1 (41.4%)；Aquatic Chronic 3 (41.4%)

규제 정보

Regulatory Information · 2건

Chemical: 1-Naphthalenecarboxaldehyde

1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard

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
기존화학 물질: KE-25547
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Metabolism/Metabolites1-Naphtaldehyde has known human metabolites that include 1-Nahthalenethanol and 1-Naphthoic acid.；1-Naphtaldehyde is a known human metabolite of terbinafine.

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.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명

정의ChEBI: A naphthaldehyde with a formyl group at position 1.

연결된 노트

불러오는 중…

나프알데히드(-1)

기본 정보