9-플루오레논-4-카르보닐클로라이드

9-Fluorenone-4-carbonyl chloride

HCID 610142

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7071-83-2
표준 SMILES: O=C(Cl)c1cccc2c1-c1ccccc1C2=O
InChIKey: XKCGWCQMEUASJF-UHFFFAOYSA-N
분자식: C14H7ClO2
평균 분자량: 242.65 g/mol
단동위원소 질량: 242.0134572

이름 및 식별자

우선 이름: 9-Fluorenone-4-carbonyl chloride
IUPAC: 9-oxofluorene-4-carbonyl chloride
현지명: 9-플루오레논-4-카르보닐클로라이드
영어명: 9-FLUORENONE-4-CARBONYL CHLORIDE
분자식: C14H7ClO2
분자량: 242.66

이름 및 동의어

9-Fluorenone-4-carbonyl chloride7071-83-2DTXSID40346171RefChem:313122DTXCID30297244XKCGWCQMEUASJF-UHFFFAOYSA-N9-oxofluorene-4-carbonyl chloride9-Oxo-9H-fluorene-4-carbonyl chlorideMFCD000099319H-FLUORENE-4-CARBONYL CHLORIDE,9-OXOSCHEMBL2076642AKOS015916686

이름 더 보기

9-플루오레논-4-카르보닐클로라이드TIMTEC-BB SBB0008249-OXO-4-FLUORENECARBONYL CHLORIDE

9-Fluorenone-4-carbonyl chloride, 97%BP-13268BS-234619-Oxo-9H-fluorene-4-carbonyl chloride #DB-0554489h-fluoren-9-one-4-carboxylic acid chlorideH60847

데이터베이스 식별자

CAS: 7071-83-2
PubChem CID: 610142
DTXSID: DTXSID40346171
EC Number: 687-146-4
Nikkaji: J236.245G

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 352

물리화학적 성질

녹는점: 139 · 139-141 °C (lit.)
끓는 점: 420.1 · 420.1±24.0 °C(Predicted)
밀도: 1.417 · 1.417±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C14H7ClO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H
InChIKey: XKCGWCQMEUASJF-UHFFFAOYSA-N
SMILES: ClC(=O)c1cccc2C(=O)c3ccccc3-c12

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 39 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: 1
ridadr: UN 3261 8/PG 2
risk_code: 34-40
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Carc. 2Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도9-Fluorenone-4-carbonyl chloride was used to functionalize amino acids in alkaline medium before their enantioresolution by HPLC. It was also used in the synthesis of N-(2-hydroxyethyl)-9-oxo-9H-fluorene-4 carboxamide.

일반 설명9-Fluorenone-4-carbonyl chloride is a fluorescent electrophilic reagent.