Tropolone (HCID 10789)

이름 및 식별자

우선 이름: Tropolone
IUPAC: 2-hydroxycyclohepta-2,4,6-trien-1-one
현지명: 트로폴론
영어명: Tropolone
분자식: C7H6O2
분자량: 122.12

이름 및 동의어

Tropolone533-75-52-Hydroxycyclohepta-2,4,6-trienonePurpurocatechol2-Hydroxytropone2,4,6-Cycloheptatrien-1-one, 2-hydroxy-DTXSID80494167L6DL16P1TNSC-89303DTXCID7029376CHEBI:79966RefChem:389350

이름 더 보기

트로폴론트로폴로네TropoLSKL248a-TropoloneTropolone 98%

208-577-22-hydroxycyclohepta-2,4,6-trien-1-one2-Hydroxy-2,4,6-cycloheptatrien-1-one2-Hydroxy-2,4,6-cycloheptatrienoneMFCD00004158CCRIS 6609NSC89303SCHEMBL42739

데이터베이스 식별자

CAS: 533-75-5
PubChem CID: 10789
DTXSID: DTXSID8049416
ChEMBL: CHEMBL121188
ChEBI: CHEBI:79966
UNII: 7L6DL16P1T
EC Number: 208-577-2
Nikkaji: J44.110D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 209

실험 및 물리화학적 성질

Vapor Pressure0.000679 [mmHg]

Physical DescriptionColorless solid; [Merck Index] Light yellow to cream hygroscopic solid; [Acros Organics MSDS]

Kovats Retention Index2003

물리화학적 성질

녹는점: 50 · 50-52 °C (lit.)
끓는 점: 80 · 80-84 °C/0.1 mmHg (lit.)
밀도: 1.1483 · 1.1483 (rough estimate)
증기압: 3.4 Pa · 3.4Pa at 25℃
굴절률: 1.5286 · 1.5286 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 40.9 g/l · 40.9g/l(실험적)
산도 계수 (pKa): 6.7 · 6.7(at 25℃)
물리적 상태: 결정성 분말
색상: 미색부터 크림베이지까지
수용성: 물에 용해됩니다.
BRN: 1904978 · 1904978
화장품 원료 기능: 피부 컨디셔닝
InChI: 1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKey: MDYOLVRUBBJPFM-UHFFFAOYSA-N
SMILES: OC1=CC=CC=CC1=O
LogP: 1.58 at · 1.58 at 23℃
NIST: 2 · 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-(533-75-5)

화학적 성질

White to light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 10% (2 of 20) of reports.

Danger

H314 (85%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (85%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (85%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (85%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (85%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 20 reports by companies.；There are 2 notifications provided by 18 of 20 reports by companies with hazard statement code(s).；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

Regulatory Information · 2건

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24770；Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21361

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses convulsions and rigidity (including catalepsy) in intraperitoneal lethal-dose studies of mice and rats; [RTECS] May cause irritation; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (85%)；Skin Sens. 1B (85%)；Eye Dam. 1 (85%)；Aquatic Acute 1 (85%)；Aquatic Chronic 1 (85%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24770；Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21361

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
rtecs: GU4075000
HS 번호: 29144090
risk_code: 22-36/37/38-37/38-41
hazard_code: Xi
safety_code: 22-24/25-36/37/39-36-26
기존화학 물질: KE-20435
F 고인화성물질: 8-10-23
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesA natural antibiotic; The seven-carbon ring structure is a prototype for a group of natural bioactive products known as tropolonoids; Used as a ligand for cell radiolabeling; [Merck Index]

Household ProductsInformation on 1 consumer products that contain Tropolone in the following categories is provided:；• Personal Care

응용 분야

용도Tropolone is a sensitive reagent for reducing sugars. A non-benzenoid aromatic compound, Reagent for the preparation of fused heterocycles and complexes of Ga(III) and In(III).