CAS 104224-63-7 1-(5-Bromo-2-methoxyphenyl)adamantane (HCID 3285024)

이름 및 식별자

우선 이름: 1-(5-Bromo-2-methoxyphenyl)adamantane
IUPAC: 1-(5-bromo-2-methoxyphenyl)adamantane
영어명: 1-(5-Bromo-2-methoxy-phenyl)adamantane
분자식: C17H21BrO
분자량: 321.25

이름 및 동의어

104224-63-71-(5-bromo-2-methoxyphenyl)adamantane2-(1-Adamantyl)-4-bromoanisoleDTXSID30391054RefChem:426247DTXCID50341915689-408-3926-283-91-(5-Bromo-2-methoxy-phenyl)adamantaneMFCD038553082-(1-Adamantane)-4-bromoanisoleTricyclo[3.3.1.13,7]decane, 1-(5-bromo-2-methoxyphenyl)-

이름 더 보기

Adap-int ACAS:104224-63-71-(5-Bromo-2-methoxyAdapalene IMpurity J2-Adamantyl-4-bromoanisole1-(5-bromo-2-methoxyphenyl)-2-(1-adamantanyl)-4-bromoanisole(1 - ADMANTYL) - 4 BROMO ANISOLE

C17H21BrO2-(1-adamantyl)-4-bromomethoxybenzene2-(1-Adamantyl)-4-bromo-anisoleSTK664462AC-77651-(5-bromo-2-methoxyphenyl)-adamantane3-(1-adamantyl)-1-bromo-4-methoxybenzene2-(1-Adamantyl)-4-bromo anisole

데이터베이스 식별자

CAS: 104224-63-7
PubChem CID: 3285024
DTXSID: DTXSID30391054
EC Number: 689-408-3、926-283-9
Nikkaji: J3.152.312E

물성

구조 계산 물성

XLogP: 6
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 312

물리화학적 성질

녹는점: 139 · 139-141°C
끓는 점: 402.5 · 402.5±38.0 °C(Predicted)
밀도: 1.346 · 1.346±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C17H21BrO/c1-19-16-3-2-14(18)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKey: QQAMHHZQONQBFZ-UHFFFAOYSA-N
SMILES: C12(C3=CC(Br)=CC=C3OC)CC3CC(CC(C3)C1)C2

화학적 성질

1-(5-Bromo-2-methoxy-phenyl)adamantane Appearance is white Solid or white to light yellow powder to crystalline, melting point 144℃.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (37.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 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 InformationStatus: Active Update: 06-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30818

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)；Acute Tox. 4 (37.5%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2 (75%)；Acute Tox. 4 (37.5%)；STOT SE 3 (62.5%)

규제 정보

Regulatory InformationStatus: Active Update: 06-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30818

안전 데이터

HS 번호: 2909309090
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야

개요1-(5-Bromo-2-methoxy-phenyl)adamantane is an organic synthesis reagent for the preparation of the adapalene intermediate 6-bromo-2-naphthalenecarboxylate.

용도Adapalene (A225000) impurity.