기본 정보
- 표준 SMILES
O=C(O)CC1c2ccccc2-c2ccccc21- InChIKey
WFSMJMTYIMFHPV-UHFFFAOYSA-N- 분자식
- C15H12O2
- 평균 분자량
- 224.25 g/mol
- 단동위원소 질량
- 224.08372962
개요
used for tagging silica-based derivatization reagents in HPLC
이름 및 식별자
- 우선 이름
- Fluorene-9-acetic acid
- IUPAC
- 2-(9H-fluoren-9-yl)acetic acid
- 영어명
- Fluorene-9-acetic acid
- 분자식
- C15H12O2
- 분자량
- 224.25
이름 및 동의어
6284-80-69-Fluoreneacetic acidFluorene-9-acetic acid9-FluoreneacetateDTXSID50212015RefChem:459407DTXCID501345062-(9H-fluoren-9-yl)acetic acid(9H-Fluoren-9-yl)acetic acid9H-Fluorene-9-acetic acidMFCD00013262fluoren-9-acetic acid
이름 더 보기
9-FluoreneaceticFluorene-9-aceticaci9-FLUORENYLACETIC ACID9-FluoreneaceticAcid>Fluoroene-9-acetic Acid9-Fluoreneacetic acid 99%
SCHEMBL423709-Fluoreneacetic acid, 99%CHEMBL44381(9H-Fluoren-9-yl)-acetic acidAC-4879SY0486742-fluoren-9-ylacetic acidEN300-1833850
데이터베이스 식별자
- CAS
6284-80-6- PubChem CID
- 94852
- DTXSID
DTXSID50212015- ChEMBL
CHEMBL44381- EC Number
- 613-090-7
- Nikkaji
- J414.333G
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 277
물리화학적 성질
- 녹는점
- 133 · 133-135 °C (lit.)
- 끓는 점
- 325.66 °C · 325.66°C (rough estimate)
- 밀도
- 1.1139 · 1.1139 (rough estimate)
- 굴절률
- 1.66 · 1.6600 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.9 · 3.90±0.10(Predicted)
- 색상
- 흰색에서 노란색으로
- 수용성
- 물에 용해됩니다.
- BRN
- 1969039 · 1969039
- InChI
- 1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
- InChIKey
- WFSMJMTYIMFHPV-UHFFFAOYSA-N
- SMILES
- OC(=O)CC1c2ccccc2-c3ccccc13
화학적 성질
light yellow crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29163900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도It was used in preparation of pyrokinin class of insect neuropeptides. It was also used in preparation of N-(9-fluoreneacetyl)-L-leucine.
상·하류 제품 정보
상류 원료
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