2-(클로로메틸)안트라퀴논

2-(Chloromethyl)anthraquinone

HCID 344311

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6374-87-4
표준 SMILES: O=C1c2ccccc2C(=O)c2cc(CCl)ccc21
InChIKey: NVUYDKYMEMGYFP-UHFFFAOYSA-N
분자식: C15H9ClO2
평균 분자량: 256.68 g/mol
단동위원소 질량: 256.0291072

이름 및 식별자

우선 이름: 2-(Chloromethyl)anthraquinone
IUPAC: 2-(chloromethyl)anthracene-9,10-dione
현지명: 2-(클로로메틸)안트라퀴논
영어명: 2-(Chloromethyl)anthraquinone
분자식: C15H9ClO2
분자량: 256.68

이름 및 동의어

2-(Chloromethyl)anthraquinone6374-87-4DTXSID00322395RefChem:460354DTXCID40273514624-149-12-(chloromethyl)anthracene-9,10-dioneAnthraquinone, 2-(chloromethyl)-2-Chloromethyl-anthraquinone2-(chloromethyl)-9,10-dihydroanthracene-9,10-dioneSCHEMBL7076849,10-Anthracenedione, 2-(chloromethyl)-

이름 더 보기

2-(클로로메틸)안트라퀴논2-(Chloromethyl)anthraquinone 98%

MFCD002166122-chloromethylanthraquinoneBCP243632-chloromethyl anthraquinoneCHEMBL21780AKOS0159122-(Chloromethyl)anthraquinone, 98%AKOS015912628

데이터베이스 식별자

CAS: 6374-87-4
PubChem CID: 344311
DTXSID: DTXSID00322395
ChEMBL: CHEMBL21780
EC Number: 624-149-1
Nikkaji: J2.579.667E

물성

구조 계산 물성

XLogP: 4
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 366

물리화학적 성질

녹는점: 166 · 166-169 °C (lit.)
물리적 상태: solid
BRN: 1975355 · 1975355
InChI: 1S/C15H9ClO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
InChIKey: NVUYDKYMEMGYFP-UHFFFAOYSA-N
SMILES: ClCc1ccc2C(=O)c3ccccc3C(=O)c2c1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 2914790090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-(Chloromethyl)anthraquinone may be used in the following processes: Synthesis of 2-[methylamino-N-(1′-methyl-4′-N,N-diethylaminobutyl)]anthraquinone diphosphate. Synthesis of 2-(3,4-dicyano-phenyl)-2-(9,10-dioxo-9,10-dihydroantracen-2-yl-methyl)-malonic acid diethyl ester, starting reagent for the synthesis of tetra substituted metallophthalocyanines.To alter the glassy carbon (GC) electrode surface in order to investigate the oxygen reduction reaction (ORR) in alkaline medium.

일반 설명2-(Chloromethyl)anthraquinone is an anthraquinone derivative. It was utilized as a substrate to synthesize Cibanone yellow R, a vat dye. Its electrochemical behavior has been studied over a wide pH range.