4-히드록시-1-나프타알데히드

4-Hydroxy-1-naphthaldehyde

HCID 344290CAS 7770-45-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(O)c2ccccc12
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
분자식: C11H8O2
평균 분자량: 172.18 g/mol
단동위원소 질량: 172.0524295

이름 및 식별자

우선 이름: 4-Hydroxy-1-naphthaldehyde
IUPAC: 4-hydroxynaphthalene-1-carbaldehyde
현지명: 4-히드록시-1-나프타알데히드
영어명: 4-Hydroxy-1-naphthaldehyde
분자식: C11H8O2
분자량: 172.18

이름 및 동의어

4-Hydroxy-1-naphthaldehyde4-Hydroxy-naphthaldehydeDTXSID50322380RefChem:99129DTXCID00273499626-164-9LORPDGZOLAPNHP-UHFFFAOYSA-N7770-45-84-hydroxynaphthalene-1-carbaldehydeMFCD000534861-Naphthalenecarboxaldehyde, 4-hydroxy-NSC401124

이름 더 보기

4-히드록시-1-나프타알데히드4-히드록시-1-나프탈데히드4-HYDROXY-1-NAPHTHALDEHYD4-hydroxy-1-naphthalenecarboxaldehyde

4-formyl-1-naphthol4-hydroxynaphthaldehyde4-hydroxy naphthaldehyde4-Hydroxy-1-phthaldehyde4-hydroxy-1-naphtaldehyde4-hydroxy-1-napthaldehyde4-hydroxy- 1-naphthaldehydeSCHEMBL146732

데이터베이스 식별자

CAS: 7770-45-8
PubChem CID: 344290
DTXSID: DTXSID50322380
ChEMBL: CHEMBL4457110
EC Number: 626-164-9
Nikkaji: J1.652.347J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 179 · 179-182 °C (lit.)
끓는 점: 364.9 · 364.9±15.0 °C(Predicted)
밀도: 1.288 · 1.288±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 6.66 · 6.66±0.40(Predicted)
InChI: 1S/C11H8O2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-7,13H
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
SMILES: Oc1ccc(C=O)c2ccccc12
NIST: 4 · 4-Hydroxy-naphthaldehyde(7770-45-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Hydroxy-1-naphthaldehyde was used in the preparation of racemic 1- and 2-naphthol analogues of tyrosine, 2-amino-3-(4-hydroxy-1-naphthyl)propanoic acid hydrochloride and 2-amino-3-(6-hydroxy-2-naphthyl)propanoic acid hydrobromide.