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Basic Blue 5

Basic Blue 5 structure

CAS No:
3943-82-6
Formula:
C25H27ClN2.ClH
Chemical Name:
Basic Blue 5
Synonyms:
Benzenamine,4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-,hydrochloride (1:1);C.I. Basic Blue 5,monohydrochloride;Benzenamine,4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-,monohydrochloride;C.I. Basic Blue 5;C.I. 42140;Acronol Brilliant Lake Blue A;Astrarhoduline Blue 5B;Astrazon Blue B;Azure Blue B;Basic Blue 5B;Brilliant Basic Blue R;Brilliant Blue 5B;Brilliant Glacier Blue;Calcozine Blue 5B;4-[2-Chloro-α-(4-ethylimino-3-methyl-2,5-cyclohexadienylidene)benzyl]-N-ethyl-o-toluidine monohydrochloride;Eljon Sky Blue Toner;Genacryl Blue 5B;Hidaco Caribbean Blue;Irgalite Azure Blue TCR;Lithosol Blue G;Primocyanine BX;Setocyanine;Basic Blue Z;Setocyanine Supra;Basic Blue 5;Rhoduline Blue 5B;Setopaline;Basic Blue 23;C.I. Basic Blue 23;12768-79-5
Categories:
Organic Chemistry > Amides

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Basic Blue 5 Basic Attributes

Molecular Weight：

427.40900

Exact Mass：

426.16300

EC Number：

223-528-5

DSSTox ID：

DTXSID0063238

Characteristics

PSA：

24.39000

XLogP3：

7.73410

Density：

1.07g/cm3

Boiling Point：

538.3ºC at 760mmHg

Flash Point：

279.4ºC

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

basic blue 5

Basic Blue 5 Use and Manufacturing

Manufacturing Info：

Benzenamine, 4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-, hydrochloride (1:1): ACTIVE

Computed Properties

Molecular Weight:427.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:426.1629543
Monoisotopic Mass:426.1629543
Topological Polar Surface Area:24.4
Heavy Atom Count:29
Complexity:658
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes