6-브로모-2-나프톨

6-Bromo-2-naphthalenol

HCID 27144CAS 15231-91-1

기본 정보

표준 SMILES: Oc1ccc2cc(Br)ccc2c1
InChIKey: YLDFTMJPQJXGSS-UHFFFAOYSA-N
분자식: C10H7BrO
평균 분자량: 223.07 g/mol
단동위원소 질량: 221.96802694

개요

6-bromo-2-naphthol is a member of the class of naphthols that is 2-naphthol carrying an additional bromo substituent at position 6. It is a member of naphthols and an organobromine compound. It is functionally related to a 2-naphthol.

이름 및 식별자

우선 이름: 6-Bromo-2-naphthalenol
IUPAC: 6-bromonaphthalen-2-ol
현지명: 6-브로모-2-나프톨
영어명: 6-Bromo-2-naphthol
분자식: C10H7BrO
분자량: 223.07

이름 및 동의어

6-Bromo-2-naphthol15231-91-16-Bromo-2-naphthalenolBromo-6 naphtol-22-NAPHTHOL, 6-BROMO-6-Bromo-beta-naphthol87F10AHZ3ODTXSID5074551NSC-17563CHEBI:34466RefChem:540791DTXCID5034935

이름 더 보기

6-브로모-2-나프톨8-브로모-2-나프톨6-BROMO-2-NAPTHOLbromo-6naphtol-26-Bromo-2-phthol6-bromo-2-naphtho6-BROMONAPHTHOL-26-Brom-2-naphthol8-bromo-2-naphthol

239-279-06-bromonaphthalen-2-ol2-Naphthalenol, 6-bromo-6-Bromo2-hydroxynaphthalene6-Bromo-naphthalen-2-olMFCD00004081Bromo-6 naphtol-2 [French]6-Bromo-.beta.-naphthol

데이터베이스 식별자

CAS: 15231-91-1
PubChem CID: 27144
DTXSID: DTXSID5074551
ChEBI: CHEBI:34466
UNII: 87F10AHZ3O
EC Number: 239-279-0
Nikkaji: J30.407G

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 122 · 122-124 °C (lit.)
끓는 점: 130 °C · 130°C (rough estimate)
밀도: 1.4412 · 1.4412 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 9.26 · 9.26±0.40(Predicted)
색상: 미색부터 베이지까지
BRN: 1100270 · 1100270
InChI: InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
InChIKey: YLDFTMJPQJXGSS-UHFFFAOYSA-N
SMILES: C1=C2C(C=C(Br)C=C2)=CC=C1O
NIST: 2 · 2-Naphthalenol, 6-bromo-(15231-91-1)
EPA: 6 · 6-Bromo-2-naphthol (15231-91-1)

화학적 성질

off-white to beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H315 (98%): 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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

안전 데이터

wgk: 3
rtecs: QL3365000
HS 번호: 29037990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Bromo-2-naphthol is a flavonoid molecule that shows steroid hormone activity and may be useful on anticancer therapy.

상·하류 제품 정보

하류 제품

공급사50 곳

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: A member of the class of naphthols that is 2-naphthol carrying an additional bromo substituent at position 6.

연결된 노트

불러오는 중…