CAS No.1552-42-7,Crystal violet lactone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1552-42-7
Name:	Crystal violet lactone
Article Data:	8

Formula:	C₂₆H₂₉N₃O₂
Molecular Weight:	415.535
Synonyms:	Phthalide,6-(dimethylamino)-3,3-bis[p-(dimethylamino)phenyl]- (6CI,7CI,8CI);3,3-Bis[4-(dimethylamino)phenyl]-6-(dimethylamino)-1,3-dihydroisobenzofuran-1-one;3,3-Bis[4-(dimethylamino)phenyl]-6-(dimethylamino)phthalide;3,3-Bis[p-(dimethylamino)phenyl]-6-(dimethylamino)phthalide;6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3H)-isobenzofuranone;CVL;Color Former CVL;Copikem 1 Blue;Copikem I;NSC 32991;NSC 3562;Pergascript Blue I 2R;
EINECS:	216-293-5
Density:	1.198 g/cm
Melting Point:	180-183 °C
Boiling Point:	609.4 °C at 760 mmHg
Flash Point:	322.4 °C
Solubility:	Insoluble in water
Appearance:	Blue-green crystals or pale green powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	36.02000
LogP:	4.34690

Synthetic route

: 1255-69-2
2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In water	95.4%

: 76339-00-9
4,4-bis-(p-dimethylaminophenyl)-7-dimethylamino-3,4-dihydro-1(2H)-phthalazinone

A: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

B: 76918-85-9
3,3-bis-(p-dimethylaminophenyl)-6-dimethylamino-N-aminophthalimidine

Conditions

Conditions	Yield
With hydrogenchloride for 2h; Heating;	A 0.33 g B 0.70 g

: 77-78-1
dimethyl sulfate

: 29199-07-3
6-amino-3,3-bis(4-dimethylaminophenyl)phthalide

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

: 5339-80-0
3,3-bis-p-dimethylaminophenylphthalide

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: nitric acid (d 1.45) / H2SO4 2: Fe / HCl View Scheme

: 29199-08-4
6-nitro-3,3-bis(4-dimethylaminophenyl)phthalide

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Fe / HCl View Scheme

: 77-09-8
phenolphthalein

A: 1255-69-2
2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid

B: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

Conditions

Conditions	Yield
With sodium hydroxide; acetic acid In water; toluene

: 623927-11-7
(4-dimethylamino-benzyliden)-urea

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 2 h / 80 °C 2.1: water / 2 h / 90 °C 2.2: 50 - 70 °C 3.1: dihydrogen peroxide / water / 2 h View Scheme

: 100-10-7
4-dimethylamino-benzaldehyde

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sulfuric acid / water / 2 h / 50 °C 2.1: 2 h / 80 °C 3.1: water / 2 h / 90 °C 3.2: 50 - 70 °C 4.1: dihydrogen peroxide / water / 2 h View Scheme

: tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

A: 926919-99-5
[(η6-crystal violet lactone)RuCp*]PF6

B: [(η6-crystal violet lactone)(RuCp*)2](PF6)2

Conditions

Conditions	Yield
In dichloromethane (inert conditions); stirring mixture of ruthenium compd. and crystal violet lactone in CH2Cl2 at room temp. for 2 h; evapn., chromy. (alumina, CH2Cl2-CH3CN (8:1)) to elute mononuclear complex, eluting with CH3CN to give dinuclear complex, elem. anal.;	A 72% B 8%

...Expand

: 88945-10-2
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)

: 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone

: 926919-82-6
[(crystal violet lactone)Ru(η4-cod)]

Conditions

Conditions	Yield
With CH3CN In tetrahydrofuran (inert conditions); stirring mixture of ruthenium compd., crystal violetlactone and acetonitrile in THF at room temp. for 2 d; concn., filtration through alumina, evapn., chromy. (alumina, toluene, then toluene-THF (25:1)), evapn., (1)H NMR;	47%

Raw Materials

77-09-8

77-78-1

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Chemistry

The Molecular Structure of 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- (CAS NO.1552-42-7):

Empirical Formula: C₂₆H₂₉N₃O₂
Molecular Weight: 415.5274
Appearance: Blue-green crystals or pale green powder
IUPAC: 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one
Nominal Mass: 415 Da
Average Mass: 415.5274 Da
Monoisotopic Mass: 415.225977 Da
Index of Refraction: 1.655
Molar Refractivity: 127.28 cm³
Molar Volume: 346.8 cm³
Surface Tension: 53 dyne/cm
Density: 1.198 g/cm³
Flash Point: 322.4 °C
Enthalpy of Vaporization: 90.52 kJ/mol
Boiling Point: 609.4 °C at 760 mmHg
Vapour Pressure: 8.57E-15 mmHg at 25°C
Water Solubility: <0.1 g/100 mL at 22.5 ºC
InChI
InChI=1/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3
Smiles
O=C1OC(c2ccc(N(C)C)cc12)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
Product Categories: Organics;Color Former;Color Former & Related Compounds;Functional Materials;C;Stains and Dyes;Stains&Dyes, A to

Uses

1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- (CAS NO.1552-42-7) is an important functional dye for the production of pressure sensitive materials.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39:Wear suitable gloves and eye/face protection

Specification

1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- (CAS NO.1552-42-7) is also called as Crystal violet lactone ; 3,3-Bis(4-dimethylaminophenyl)-6-dimethylaminophthalide ; 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalate ; 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalide ; 6-(Dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)phthalide ; AI3-17349 ; Crystal Violet lactone ; EINECS 216-293-5 ; NSC 32991 ; NSC 3562 ; Phthalide, 6-(dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)- ; 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- 6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalide ; Phthalide, 6-(dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)- .