1,4-Naphthalenediol (HCID 11305)

개요

Naphthalene-1,4-diol is a naphthalenediol and a naphthohydroquinone.

이름 및 식별자

우선 이름: 1,4-Naphthalenediol
IUPAC: naphthalene-1,4-diol
현지명: 1,4-디하이드록시나프탈렌
영어명: 1,4-Dihydroxynaphthalene
분자식: C10H8O2
분자량: 160.17

이름 및 동의어

1,4-DihydroxynaphthaleneNaphthalene-1,4-diol571-60-81,4-NAPHTHALENEDIOL1,4-NaphthohydroquinoneNaphthohydroquinoneHydronaphthoquinone1,4-Naphthoquinolalpha-NaphthoquinhydroneAML1P6T42CCCRIS-7897DTXSID5060350

이름 더 보기

1,4-디하이드록시나프탈렌1,4-NDO1.4-Dihydroxyn1,4-NAPTHALENEDIOLNaphthalin-1,4-diol

CHEBI:34063RefChem:416973DTXCID0042165CHEBI:51475209-336-4C10H8O2EINECS 209-336-41,4-Naphththalenediol

데이터베이스 식별자

CAS: 571-60-8
PubChem CID: 11305
DTXSID: DTXSID5060350
ChEMBL: CHEMBL206816
ChEBI: CHEBI:34063
UNII: AML1P6T42C
EC Number: 209-336-4
Nikkaji: J6.537D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 140

실험 및 물리화학적 성질

SpringerMaterials PropertiesAngular frequency

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

LogP2.24

물리화학적 성질

녹는점: 191 · 191-192 °C (dec.)
끓는 점: 246.06 °C · 246.06°C (rough estimate)
밀도: 1.0924 · 1.0924 (rough estimate)
굴절률: 1.5178 · 1.5178 (estimate)
저장 조건: Refrigerator
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: crystals
산도 계수 (pKa): 1 · pK1:9.37;pK2:10.93 (26°C，μ=0.65)
색상: 회색
수용성: 약간 용해됨
BRN: 1307689 · 1307689
InChI: 1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
InChIKey: PCILLCXFKWDRMK-UHFFFAOYSA-N
SMILES: Oc1ccc(O)c2ccccc12
NIST: 1 · 1,4-Naphthalenediol(571-60-8)
EPA: 1 · 1,4-Naphthalenediol (571-60-8)

화학적 성질 · 1건

brown to greyish powder. 1,4-Naphthalenediol [571-60-8], mp 195℃, is synthesized by reduction of 1,4- naphthoquinone with sodium dithionite, or by hydrolysis of 4-amino-1-naphthol with 20 % sulfuric acid. It undergoes oxidation to give 1,4-naphthoquinone; amination to give 4-amino-1-naphthol; and methylation (MeOH – HCl) to give 4-methoxy-1-naphthol.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: QJ4730000
HS 번호: 2921450090
risk_code: 22-37/38-41-43-36/37/38-25
hazard_code: Xn,T
safety_code: 26-39-45-36/37/39-28A-24
F 고인화성물질: 8-10-16-23
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information1,4-Naphthalenediol: ACTIVE

응용 분야 · 1건

용도1,4-Dihydroxynaphthalene is frequently used in organic synthesis as a reagent. In particular, it is used in the synthesis of a pH independent and cell permeant fluorescent dye, a hydroxyl regioisomeric 3'',4''-benzorhodol, which can be used as a fluorescent chemosensor and biomarker for biological applications.

상·하류 제품 정보

상류 원료

하류 제품

2-Chloro-1,4-naphthoquinone 4-Methoxy-1-naphthol 2,3-디하이드로-1,4-나프토퀴논

공급사50 곳

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

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

연결된 노트

불러오는 중…

1,4-디하이드록시나프탈렌

기본 정보

개요