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Fast Blue BB
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Name

Fast Blue BB

 EINECS 204-363-8
CAS No. 120-00-3 Density 1.194 g/cm3
PSA 73.58000 LogP 3.97270
Solubility N/A Melting Point 98-100 °C
Formula C17H20N2O3 Boiling Point 405.472 °C at 760 mmHg
Molecular Weight 300.357 Flash Point 199.023 °C
Transport Information UN 1789 8/PG 2 Appearance grey to brown powder or chunks
Safety 26-36/37/39 Risk Codes 22-36/37/38-41
Molecular Structure Molecular Structure of 120-00-3 (Fast Blue BB) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Benzanilide,4'-amino-2',5'-diethoxy- (6CI,7CI,8CI);1-Amino-4-(benzoylamino)-2,5-diethoxybenzene;2,5-Diethoxy-4-benzamidoaniline;4-Amino-1-(benzoylamino)-3,6-diethoxybenzene;4-Benzamido-2,5-diethoxyaniline;Blue Salt NBB;Brentamine Fast Blue 2B Base;Brentamine Fast Blue BB Base;FastBlue BB;Fast Blue EB Base;N-(4-Amino-2,5-diethoxyphenyl)benzamide;NSC 37184;Spectrolene Blue BB;

 

Fast Blue BB Synthetic route

135-41-1

benzoic acid-(2,5-diethoxy-4-nitro-anilide)

120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

Conditions
ConditionsYield
With hydrogenchloride; iron
With hydrogenchloride; iron
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

6-((2S,3R,4R,5S,6S)-3,4,5,6-Tetraacetoxy-tetrahydro-pyran-2-yl)-hexanoic acid

1,2,3,4-tetra-O-acetyl-10-(4-benzamido-2,5-diethyloxyphenylaminocarbonyl)-6,7,8,9,10-pentadeoxy-α-L-galacto-decopyranose

Conditions
ConditionsYield
With 4 A molecular sieve; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃;81%
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

6-((2S,3R,4R,5S,6R)-3,4,5,6-Tetraacetoxy-tetrahydro-pyran-2-yl)-hexanoic acid

1,2,3,4-tetra-O-acetyl-10-(4-benzamido-2,5-diethyloxyphenylaminocarbonyl)-6,7,8,9,10-pentadeoxy-β-L-galacto-decopyranose

Conditions
ConditionsYield
With 4 A molecular sieve; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃;81%
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

824-79-3

sodium 4-methylbenzenesulfinate

N-(4-amino-2,5-diethoxy-3-tosylphenyl)benzamide

Conditions
ConditionsYield
With perchloric acid In ethanol; water at 25℃; Electrolysis;75%
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

873-55-2

sodium benzenesulfonate

N-(4-amino-2,5-diethoxy-3-(phenylsulfonyl)phenyl)benzamide

Conditions
ConditionsYield
With perchloric acid In ethanol; water at 25℃; Electrolysis;66%
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

14752-66-0

sodium p-chlorobenzenesulphinate

N-(4-amino-3-((4-chlorophenyl)sulfonyl)-2,5-diethoxyphenyl)-benzamide

Conditions
ConditionsYield
With perchloric acid In ethanol; water at 25℃; Electrolysis;62%

5tbenzo[1,3]dioxol-5-yl-3-oxo-pent-4-enoic acid ethyl ester

120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

2,5-diethoxy-N-(5t-benzo[1,3]dioxol-5-yl-3-oxo-pent-4-enoyl)-N'-benzoyl-p-phenylenediamine

Conditions
ConditionsYield
With xylene
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

83-01-2

diphenylcarbamic chloride

N'-(2,5-diethoxy-4-benzoylamino-phenyl)-N,N-diphenyl-urea

Conditions
ConditionsYield
With pyridine; 2-methyl-propan-1-ol
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

98-88-4

benzoyl chloride

2872-47-1

1-amino-4-chloroanthraquinone

43096-15-7

C38H31N3O6

Conditions
ConditionsYield
(i), (ii) /BRN= 3416889/, Na2CO3, NaOAc; Multistep reaction;
120-00-3

1-amino-4-benzoylamino-2,5-diethoxy-benzene

3-oxo-1-<2-chloro-phenyl>-penten-(1)-oic acid (5)-ethyl ester

3-oxo-1-<2-chloro-phenyl>-penten-(1)-oic acid (5)-ethyl ester

5-(2-chloro-phenyl)-3-oxo-pent-4-enoic acid-(2,5-diethoxy-4-benzoylamino-anilide)

Conditions
ConditionsYield
With xylene

Fast Blue BB Specification

The Fast Blue BB, with CAS registry number 120-00-3, belongs to the following product categories: (1)Dyes and Pigments; (2)Cytochemistry Products; (3)Hematology and Histology. It has the systematic name of N-(4-amino-2,5-diethoxyphenyl)benzamide. This chemical is a kind of grey to brown powder or chunks. And it should be stored at the temperature of 2-8°C. The main use of this chemical is for the dyeing of cotton, viscose and soybean-protein and the printing colour-display reagent. What's more, its EINECS is 204-363-8.

Physical properties of Fast Blue BB: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 30.82; (6)ACD/BCF (pH 7.4): 34.75; (7)ACD/KOC (pH 5.5): 391.18; (8)ACD/KOC (pH 7.4): 440.96; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 42.01 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 87.68 cm3; (15)Molar Volume: 251.6 cm3; (16)Polarizability: 34.76×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 199 °C; (20)Enthalpy of Vaporization: 65.71 kJ/mol; (21)Boiling Point: 405.5 °C at 760 mmHg; (22)Vapour Pressure: 8.74E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Fast Blue BB irritates to eyes, respiratory system and skin. It is harmful if swallowed. An it has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)Nc2cc(OCC)c(cc2OCC)N
(2)InChI: InChI=1/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
(3)InChIKey: CNXZLZNEIYFZGU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
(5)Std. InChIKey: CNXZLZNEIYFZGU-UHFFFAOYSA-N

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