Crystal Violet lactone

HCID 73773CAS 1552-42-7

기본 정보

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 물성

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

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 · 2건

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

화학적 성질

Light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 4건

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.
Air and Water ReactionsInsoluble in water.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29322090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb
Industry UsesDye
General Manufacturing Information · 2건

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.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

관련 반응

23건

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