기본 정보
- CAS
33626-98-1- 표준 SMILES
COC(=O)c1ccc2cc(Br)ccc2c1- InChIKey
JEUBRLPXJZOGPX-UHFFFAOYSA-N- 분자식
- C12H9BrO2
- 평균 분자량
- 265.1 g/mol
- 단동위원소 질량
- 263.97859163
이름 및 식별자
- 우선 이름
- 2-Bromo-6-methoxycarbonylnaphthalene
- IUPAC
- methyl 6-bromonaphthalene-2-carboxylate
- 영어명
- Methyl 6-bromo-2-naphthoate
- 분자식
- C12H9BrO2
- 분자량
- 265.1
이름 및 동의어
Methyl 6-bromo-2-naphthoate33626-98-1methyl 6-bromonaphthalene-2-carboxylate2-Naphthalenecarboxylic acid, 6-bromo-, methyl ester47YX2K4GR32-Bromo-6-methoxycarbonylnaphthaleneDTXSID50357551Methyl 6-(3-benzyl-4-((2-methoxyethoxy)methoxy)phenyl)-2-naphthoateRefChem:467061DTXCID90308608methyl 6-bromo-2-napthoateMFCD00100408
이름 더 보기
Adap-int BADAPALENE RC AAdapalene IMpurity GMethyl 6-bromo-2-napAdapalene Impurity 46-BROMO-2-NAPHTHOIC AICDMethyl-6-Bromo-2-NaphtoatMethyl 6-bromo-2-phthoate
6-Bromo-2-naphthalenecarboxylic Acid Methyl EsterUNII-47YX2K4GR36-Bromo-2-naphthoic Acid Methyl Ester2-Naphthalenecarboxylic acid, 6-bromo-, methyl ester; 2-Naphthoic acid, 6-bromo-, methyl ester (8CI); 6-Bromonaphthalene-2-carboxylic acid methyl ester; Methyl 6-bromo-2-naphthoate; Methyl 6-bromonaphthalene-2-carboxylate; Adapalene Related Compound A6-bromonaphthalene-2-carboxylic acid methyl esterAdapalene Impurity 2Methyl-6-bromo-2-naphtoateSCHEMBL181238
데이터베이스 식별자
- CAS
33626-98-1- PubChem CID
- 854134
- DTXSID
DTXSID50357551- UNII
- 47YX2K4GR3
- EC Number
- 608-896-0
- Nikkaji
- J274.472D
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 242
물리화학적 성질
- 녹는점
- 123 · 123-126 °C (lit.)
- 끓는 점
- 357 · 357.0±15.0 °C(Predicted)
- 밀도
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- 결정성 분말
- 색상
- 황백색에서 크림색 또는 연한 갈색
- BRN
- 2578943 · 2578943
- InChI
- InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
- InChIKey
- JEUBRLPXJZOGPX-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(Br)C=C2)=CC=C1C(OC)=O
화학적 성질
Pale yellow or light brown powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 02-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33961
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29163990
- risk_code
- 20/21/22-34
- hazard_code
- C
- safety_code
- 24/25-45-36/37/39-27-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Methyl 6-bromo-2-naphthoate may be used to synthesize:6-vinyl-2-naphthalencarbaldehydemethyl 6-(3-tert-butyl-4-methoxyphenyl)-2-naphthoatemethyl 6-[3-tert-butyl-4-[(tert-butyldiethylsilyl)oxy]-phenyl]-2-naphthoatemethyl 6-[3-(1-adamantyl)-4-[(tert-butyldimethylsilyl)-oxy]phenyl]-2-naphthoatemethyl 6-[3-(1-adamantyl)-4-[[(2,3-dimethyl-1,3-dioxolan-4-yl)methylloxy]phenyl]-2-naphthoate2-bromo-6-(bromomethyl)naphthalene
일반 설명Methyl 6-bromo-2-naphthoate undergoes aromatic Finkelstein reaction followed by hydrolysis to afford 6-iodo-2-naphthoic acid.
상·하류 제품 정보
상류 원료
하류 제품
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