CAS No.37247-10-2,Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride (1:1), mixt. with 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride (1:1) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	37247-10-2
Name:	Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride (1:1), mixt. with 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride (1:1)

Formula:	C₁₆H₁₈N₃S.C₁₅H₁₆N₃S.2Cl
Molecular Weight:	561.55
Synonyms:	Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, mixt. with 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride (9CI); Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride, mixt. contg. (9CI);(7-diethylaminophenothiazin-3-ylidene)-diethyl-azanium;
EINECS:	609-371-9
Density:	N/A
Melting Point:	205 °C
Boiling Point:	N/A
Flash Point:	N/A
Solubility:	water: 10 mg/mL
Appearance:	dark green to black crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-39
Transport Information:	N/A
PSA:	104.01000
LogP:	1.78190

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Chemistry

Molecular Structure of Phenothiazin-5-ium,3,7-bis(dimethylamino)-,chloride,mixt. with 3-(dimethylamino)-7-(methylamino)- phenothiazin-5-ium chloride (CAS No. 37247-10-2):

Systematic Name: Methanaminium, N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methyl-, dichloride N-methyl-N-[7-(methylamino)-3H-phenothiazin-3-ylidene]methanaminium
Synonyms: Azure II ; 3,7-Bis(dimethylamino)phenothiazin-5-ium chloride mixt. with 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride (1:1)
Molecular Formula: C₃₁H₃₄Cl₂N₆S₂
Molecular Weight: 625.68
CAS Registry Number: 37247-10-2
Appearance: dark green to black crystalline powder
Water Solubility: 10 mg/mL
Polar Surface Area: 87.82 Å²
Product Categories: Industrial/Fine Chemicals;A;Stains and Dyes;Stains&Dyes
Structure Descriptors of Phenothiazin-5-ium,3,7-bis(dimethylamino)-,chloride,mixt. with 3-(dimethylamino)-7-(methylamino)- phenothiazin-5-ium chloride (CAS No. 37247-10-2):
SMILES: [Cl-].[Cl-].N=1c3c(SC=2C=1\C=C/C(=[N+](/C)C)/C=2)cc(cc3)N(C)C.N=1c3ccc(NC)cc3S\C\2=C\C(=[N+](/C)C)\C=C/C=1/2
InChI: InChI=1/C16H18N3S.C15H15N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5-10H,1-4H3;4-9H,1-3H3;2*1H/q+1;;;/p-1
InChIKey: YOWZJZJLXUQHGF-REWHXWOFAP
Std. InChI: InChI=1S/C16H18N3S.C15H15N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5-10H,1-4H3;4-9H,1-3H3;2*1H/q+1;;;/p-1
Std. InChIKey: YOWZJZJLXUQHGF-UHFFFAOYSA-M

Safety Profile

Safety Information of Phenothiazin-5-ium,3,7-bis(dimethylamino)-,chloride,mixt. with 3-(dimethylamino)-7-(methylamino)- phenothiazin-5-ium chloride (CAS No. 37247-10-2):
Hazard Codes: Xn Harmful
Risk Statements: 22-41
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
WGK Germany: 3