6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalid

Crystal Violet lactone

HCID 73773CAS 1552-42-7

Grundinformationen

Standard-SMILES
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1
InChIKey
IPAJDLMMTVZVPP-UHFFFAOYSA-N
Summenformel
C26H29N3O2
Durchschnittliche Molmasse
415,5 g/mol
Monoisotopische Masse
415,22597717

Überblick

Crystal violet lactone appears as blue-green crystals or pale green powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Crystal Violet lactone
IUPAC
6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Lokaler Name
6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalid
Englischer Name
Crystal violet lactone
Summenformel
C26H29N3O2
Molmasse
415.53

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
1552-42-7
PubChem CID
73773
DTXSID
DTXSID8024866
ChEMBL
CHEMBL1369406
ChEBI
CHEBI:189210
UNII
USS7CW0676
EC Number
216-293-5
Nikkaji
J68.910F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,3
Polarare Oberfläche (TPSA)
36 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
5
Schwere Atome
31

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 72.5 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point356 °F (NTP, 1992)
Physical Description · 2 Einträge

Crystal violet lactone appears as blue-green crystals or pale green powder. (NTP, 1992)

Dry Powder

Physikochemische Eigenschaften

Schmelzpunkt
180 · 180-183°C
Siedepunkt
534.12 °C · 534.12°C (rough estimate)
Dichte
1.1424 · 1.1424 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.712 · 1.7120 (estimate)
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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.

Sicherheit und Schutzausrüstung

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

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 · 1 Eintrag

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) · 1 Eintrag

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)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

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

Paper Manufacturing

1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-: ACTIVE

Anwendungen

VerwendenCrystal 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..

Anbieter50 Anbieter

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]

Zugehörige Reaktionen

23

Verknüpfte Notizen

Wird geladen…