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Xylene cyanol

Xylene cyanol structure

CAS No:
4463-44-9
Formula:
C25H28N2O7S2.Na
Chemical Name:
Xylene cyanol
Synonyms:
1,3-Benzenedisulfonic acid,4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-,sodium salt (1:1);Toluene-2,4-disulfonic acid,α-[4-(ethylamino)-m-tolyl]-α-[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-5-hydroxy-,monosodium salt;1,3-Benzenedisulfonic acid,4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-,monosodium salt;C.I. 43535;Cyanol FF;Xylene cyanol
Categories:
Chemical Reagents > Organic Reagents

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Description

dark red to dark blue crystalline powder

Xylene cyanol Basic Attributes

Molecular Weight：

554.61

Exact Mass：

556.131409

EC Number：

224-728-5

HScode：

32041200

Characteristics

PSA：

172.95000

XLogP3：

6.29670

Appearance：

Purple Powder Solid

Melting Point：

295°C(dec.)

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:532.6
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:532.13379358
Monoisotopic Mass:532.13379358
Topological Polar Surface Area:170
Heavy Atom Count:36
Complexity:1140
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes