Crystal Violet lactone
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기본 정보
- CAS
1552-42-7- 표준 SMILES
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1- InChIKey
IPAJDLMMTVZVPP-UHFFFAOYSA-N- 분자식
- C26H29N3O2
- 평균 분자량
- 415.5 g/mol
- 단동위원소 질량
- 415.22597717
개요
Crystal violet lactone appears as blue-green crystals or pale green powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Crystal Violet lactone
- IUPAC
- 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
- 영어명
- Crystal violet lactone
- 분자식
- C26H29N3O2
- 분자량
- 415.53
이름 및 동의어
Crystal violet lactone1552-42-73,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalideDTXSID8024866Pergascript Blue I 2RUSS7CW0676COPIKEM 1 BLUENSC-3562NSC-32991Phthalide, 6-(dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)-1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-DTXCID204866
이름 더 보기
CVLCopikem Iviolet lactone6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]phthalideCVILHEL70IMD50HEL-S-105
3,3-Bis(p-(dimethylamino)phenyl)-6-(dimethylamino)phthalide1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-3,3-Bis[p-(dimethylamino)phenyl]-6-(dimethylamino)phthalideRefChem:5795006-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-1(3H)-isobenzofuranone216-293-5NSC 329913,3-Bis(4-dimethylaminophenyl)-6-dimethylaminophthalide
데이터베이스 식별자
- CAS
1552-42-7- PubChem CID
- 73773
- DTXSID
DTXSID8024866- ChEMBL
CHEMBL1369406- ChEBI
CHEBI:189210- UNII
- USS7CW0676
- EC Number
- 216-293-5
- Nikkaji
- J68.910F
물성
구조 계산 물성보충 중
- XLogP
- 5.3
- 극성 표면적
- 36 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 590
실험 및 물리화학적 성질
Solubilityless than 1 mg/mL at 72.5 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point356 °F (NTP, 1992)
Physical Description
Crystal violet lactone appears as blue-green crystals or pale green powder. (NTP, 1992)
Dry Powder
물리화학적 성질
- 녹는점
- 180 · 180-183°C
- 끓는 점
- 534.12 °C · 534.12°C (rough estimate)
- 밀도
- 1.1424 · 1.1424 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.712 · 1.7120 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 4.73 · 4.73±0.24(Predicted)
- 색상
- 흰색에서 밝은 노란색
- 수용성
- 22.5 · 22.5&C에서 <0.1g/100mL
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 49.1% (109 of 222) of reports.
Warning
H315 (45%): 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 222 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-
1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22049
1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis4-(dimethylamino)phenyl-: 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.
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity ProfileCRYSTAL VIOLET LACTONE may be sensitive to excessive light and heat.
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesDye
General Manufacturing Information
Paper Manufacturing
1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-: ACTIVE
응용 분야
용도Crystal Violet lactone is an important functional dye for the production of pressure sensitive materials. It is a chemical intermediate , intermediates for thermal/carbonless Paper, used in medicine and biochemical research, a leuco dye..
일반 설명Blue-green crystals or pale green powder.
상·하류 제품 정보
상류 원료
관련 반응
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