1,4-Dibromonaphthalene (HCID 66521)

이름 및 식별자

우선 이름: 1,4-Dibromonaphthalene
IUPAC: 1,4-dibromonaphthalene
영어명: 1,4-dibromonaphthalene
분자식: C10H6Br2
분자량: 285.96

이름 및 동의어

1,4-DibromonaphthaleneNaphthalene, 1,4-dibromo-EINECS 201-484-8DTXSID6058893RefChem:73214DTXCID1048332201-484-8IBGUDZMIAZLJNY-UHFFFAOYSA-NInChI=1/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-683-53-4MFCD000418231,4-dibromonapthalene

이름 더 보기

1,4-DBNSKL2521,4-DibromonaphthaL1,4-DIBROMONAPHTHALEGlycerol Impurity 58,4-dibromonaphthalene1,4-dibromonaphthylene

SCHEMBL198796CS-M3249CCG-40615SY001779SR-01000630744-11,4-dibromo-naphthalen1.4-dibromonaphthalene64FQP84RSZ

데이터베이스 식별자

CAS: 83-53-4
PubChem CID: 66521
DTXSID: DTXSID6058893
UNII: 64FQP84RSZ
EC Number: 201-484-8
Nikkaji: J32.572D

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 140

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 80 · 80-82 °C
끓는 점: 288.1 °C · 288.1°C (rough estimate)
밀도: 1.8199 · 1.8199 (estimate)
증기압: 0 · 0-93.326Pa at 25℃
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
물리적 상태: 결정질 분말 또는 결정
색상: 흰색~밝은 베이지
수용성: 347.9 ug/L · 347.9ug/L(25℃)
Henry's Law Constant: 5.8 · 5.8×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey: IBGUDZMIAZLJNY-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=C(Br)C=C1
LogP: 4.95 · 4.95-5.02
EPA: 1 · Naphthalene, 1,4-dibromo- (83-53-4)

화학적 성질

light orange-beige fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (69.2%): 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 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 02-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27156

Hazard Classes and CategoriesSkin Irrit. 2 (69.2%)

안전 데이터

tsca: TSCA listed
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-26
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing InformationNaphthalene, 1,4-dibromo-: ACTIVE

응용 분야

용도1,4-Dibromonaphthalene is used in the annelation of PAHs. Also used in the synthesis of novel, orally active dual NK1/NK2 antagonists.

제조 방법 · 1건

An environment-friendly method was developed to synthesize 1,4-dibromonaphthalene (1,4-DBN) using 1,3-dialkylimidazolium and pyridinium ionic liquids as catalysts, over which the yields of 1,4-DBN were obtained as high as 100%.An environment-friendly method for synthesis of 1,4-dibromo-naphthalene in aqueous solution of ionic liquids