Product Name

  • Name

    Fast Blue BB

  • EINECS 204-363-8
  • CAS No. 120-00-3
  • Density 1.194 g/cm3
  • Solubility
  • 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;
  • PSA 73.58000
  • LogP 3.97270

Synthetic route

benzoic acid-(2,5-diethoxy-4-nitro-anilide)
135-41-1

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

1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

Conditions
ConditionsYield
With hydrogenchloride; iron
With hydrogenchloride; iron
1-amino-4-benzoylamino-2,5-diethoxy-benzene
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

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

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

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

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%
1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

sodium 4-methylbenzenesulfinate
824-79-3

sodium 4-methylbenzenesulfinate

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

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

Conditions
ConditionsYield
With perchloric acid In ethanol; water at 25℃; Electrolysis;75%
1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

sodium benzenesulfonate
873-55-2

sodium benzenesulfonate

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

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

Conditions
ConditionsYield
With perchloric acid In ethanol; water at 25℃; Electrolysis;66%
1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

sodium p-chlorobenzenesulphinate
14752-66-0

sodium p-chlorobenzenesulphinate

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

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

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

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

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

Conditions
ConditionsYield
With xylene
1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

diphenylcarbamic chloride
83-01-2

diphenylcarbamic chloride

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

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

Conditions
ConditionsYield
With pyridine; 2-methyl-propan-1-ol
1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

benzoyl chloride
98-88-4

benzoyl chloride

1-amino-4-chloroanthraquinone
2872-47-1

1-amino-4-chloroanthraquinone

C38H31N3O6
43096-15-7

C38H31N3O6

Conditions
ConditionsYield
(i), (ii) /BRN= 3416889/, Na2CO3, NaOAc; Multistep reaction;
...Expand
1-amino-4-benzoylamino-2,5-diethoxy-benzene
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)

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

Conditions
ConditionsYield
With xylene
1-amino-4-benzoylamino-2,5-diethoxy-benzene
120-00-3

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

3-oxo-1-<3.4-dimethoxy-phenyl>-penten-(1)-oic acid (5)-ethyl ester

3-oxo-1-<3.4-dimethoxy-phenyl>-penten-(1)-oic acid (5)-ethyl ester

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

5-(3,4-dimethoxy-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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