1-ADAMANTYL브로모메틸케톤

Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone

HCID 197820CAS 5122-82-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CBr)C12CC3CC(CC(C3)C1)C2
InChIKey: KWCDIRFSULAMOC-UHFFFAOYSA-N
분자식: C12H17BrO
평균 분자량: 257.17 g/mol
단동위원소 질량: 256.04627726

이름 및 식별자

우선 이름: Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone
IUPAC: 1-(1-adamantyl)-2-bromoethanone
현지명: 1-ADAMANTYL브로모메틸케톤
영어명: 1-Adamantyl bromomethyl ketone
분자식: C12H17BrO
분자량: 257.17

이름 및 동의어

adamantyl bromomethyl ketoneBromomethyl tricyclo(3.3.1.13,7)dec-1-yl ketoneBromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketoneRefChem:570371225-860-61-Adamantyl bromomethyl ketone5122-82-71-(adamantan-1-yl)-2-bromoethanone1-(1-Adamantyl)-2-bromoethanone1-(Bromoacetyl)adamantaneBromomethyl 1-adamantyl ketoneMFCD00074740

이름 더 보기

1-ADAMANTYL브로모메틸케톤AKOS BC-0476AKOS BBS-00006527IFLAB-BB F1928-0001OTAVA-BB BB7020410089LABOTEST-BB LT00077095Bromomethyl adamantly ketonebromomethyl1-adamantylketoneketone,1-adamantylbromomethyl

1-(adamantan-1-yl)-2-bromoethan-1-oneBromomethyl adamantyl ketoneEINECS 225-860-61-(1-adamantyl)-2-bromo-ethanoneEthanone, 2-bromo-1-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-Ethanone, 2-bromo-1-tricyclo[3.3.1.13,7]dec-1-yl-2-Bromo-1-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethanoneethanone, 2-bromo-1-tricyclo[3.3.1.1~3,7~]dec-1-yl-

데이터베이스 식별자

CAS: 5122-82-7
PubChem CID: 197820
DTXSID: DTXSID80199229
EC Number: 225-860-6
Nikkaji: J203.317H

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 230

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 76 · 76-79 °C (lit.)
끓는 점: 320.3 · 320.3±15.0 °C(Predicted)
밀도: 1.439 · 1.439±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: solid
InChI: 1S/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2/t8-,9+,10-,12-
InChIKey: KWCDIRFSULAMOC-GOCCLTDMSA-N
SMILES: BrCC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29142900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36/37/39-27
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Adamantyl bromomethyl ketone may be used in chemical synthesis studies.

상·하류 제품 정보

상류 원료

하류 제품

2-(1-아다만틸)옥시란 Butanenitrile, 4-chloro-3-oxo-2-(4-tricyclo[3.3.1.13,7]dec-1-yl-2(3H)-thiazolylidene)-, (2E)-

공급사50 곳

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

上海腾准生物科技有限公司19821570922 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

成都科瑞嘉医药科技有限公司18290480864 · [email protected]

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