1,3-Indandione (HCID 11815)

개요

1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is a member of indanones, a beta-diketone and an aromatic ketone.

이름 및 식별자

우선 이름: 1,3-Indandione
IUPAC: indene-1,3-dione
현지명: 1,3-인단디온
영어명: 1,3-Indanedione
분자식: C9H6O2
분자량: 146.14

이름 및 동의어

1,3-Indanedione1,3-INDANDIONE606-23-51H-Indene-1,3(2H)-dione1,3-DiketohydrindeneIndan-1,3-dione1,3-Indanone4DJN7YG35GNSC-6312NSC-26329J7.003CDTXSID2060547

이름 더 보기

1,3-인단다이온1,3-인단디온1,3-인다네디온Indandione1,3-DIOXOINDANEAURORA KA-73651,3-Dioxoindan

CHEBI:78877RefChem:72848DTXCID4042838210-109-7indane-1,3-dioneindene-1,3-dioneMFCD00003779Diketohydrindene

데이터베이스 식별자

CAS: 606-23-5
PubChem CID: 11815
DTXSID: DTXSID2060547
ChEMBL: CHEMBL283521
ChEBI: CHEBI:78877
UNII: 4DJN7YG35G
EC Number: 210-109-7
Nikkaji: J7.003C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 186

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds

DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

SpringerMaterials PropertiesChemical shift

LogP0.61

Vapor Pressure0.00172 [mmHg]

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 129 · 129-132 °C (lit.)
끓는 점: 205.74 °C · 205.74°C (rough estimate)
밀도: 1 · 1,37 g/cm3
굴절률: 1.5049 · 1.5049 (estimate)
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 가루
산도 계수 (pKa): 8.95 · 8.95±0.20(Predicted)
색상: 흰색에서 노란색, 베이지색으로
수용성: 에탄올, 에테르, 벤젠에 용해되며 물에 약간 용해됩니다.
BRN: 1210061 · 1210061
InChI: InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey: UHKAJLSKXBADFT-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)C1
NIST: 1 H-Indene-1,3 · 1H-Indene-1,3(2H)-dione(606-23-5)
EPA: 1 · 1,3-Indandione (606-23-5)

화학적 성질

YELLOW TO GREEN FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Indene-1,3(2H)-dione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryIntraperitoneal LDLo (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Ninhydrin. See C.I. Solvent Yellow 33 and Valone.

Hazard Classes and CategoriesAcute Tox. 4 (40%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NK5070000
HS 번호: 29143900
risk_code: 33-36/37/38
hazard_code: Xi
safety_code: 24/25-36/37/39-27-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indene-1,3(2H)-dione: ACTIVE

응용 분야

용도It is used in the first stage of forensic identification of latent fingerprints. It is particularly useful for paper, and for items printed with thermal inks such as receipts.

상·하류 제품 정보

하류 제품

C.I. 산성 노란색 3 (인단-1,3-디이리딘)디마로노니트릴 NSC 600157 클로로파시논 다이파시논(디파시논)2-[(4-METHYLPHENYL)METHYLENE]-1H-INDENE-1,3(2H)-DIONE 1H-Indene-1,3-diol, 2,3-dihydro-, (1R,3S)-1H-Indene-1,3(2H)-dione, 2-chloro-2-(1-NAPHTHYLMETHYLENE)-1H-INDENE-1,3(2H)-DIONE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

추가 설명

정의ChEBI: A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups.

연결된 노트

불러오는 중…

1,3-인단디온

기본 정보

개요