CAS No.32961-44-7,Isobutyl 3,5-diamino-4-chloro benzoate Suppliers

Products Categories

Pharmaceutical (59)
Organic Chemicals (23)
Others (7)
Materials (5)
Reagent (3)
Agrochemicals (1)

Basic Information

Molecular Structure:
CAS No.:	32961-44-7
Name:	Isobutyl 3,5-diamino-4-chloro benzoate

Formula:	C₁₁H₁₅ClN₂O₂
Molecular Weight:	242.705
Synonyms:	3,5-Diamino-4-chlorobenzoicacid isobutyl ester;Baytec 1604;Baytec XL 1604;Isobutyl 3,5-diamino-4-chlorobenzoate;Isobutyl 4-chloro-3,5-diaminobenzoate;RC 1604;
EINECS:	251-311-5
Density:	1.252 g/cm³
Melting Point:	86-90 °C(lit.)
Boiling Point:	390.1 °C at 760 mmHg
Flash Point:	189.7 °C
Appearance:	Brown lump
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	78.34000
LogP:	3.47960

Synthetic route

: 58263-53-9
isobutyl 3,5-dinitro-4-chlorobenzoate

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

Conditions

Conditions	Yield
With morpholine; hydrogen In ethanol at 90 - 100℃; under 1500.15 - 22502.3 Torr; for 1.5h; Solvent; Temperature; Autoclave; Green chemistry;	92%

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 3,5-diamino-4-chlorobenzoic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In ethanol for 1h;	91%

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-74-7
3,5-diamino-4-chloro-2-(2-hydroxyphenyl)diazenylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-75-8
3,5-diamino-4-chloro-2-(2-hydroxy-5-nitrophenylazo)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-76-9
3,5-diamino-4-chloro-2-(2-hydroxy-4-nitrophenylazo)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-78-1
3,5-diamino-4-chloro-2-(2-hydroxy-5-chlorophenylazo)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-80-5
3,5-diamino-4-chloro-2-(2-methoxyphenylazo)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-82-7
6-amino-7-chloro-2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 3.1: copper(ll) sulfate pentahydrate; ammonia / water; isopropyl alcohol / 10 h / Reflux View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-83-8
6-amino-7-chloro-2-(2-hydroxy-5-nitrophenyl)-2H-benzotriazole-4-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 3.1: copper(ll) sulfate pentahydrate; ammonia / water; isopropyl alcohol / 20 h / Reflux View Scheme

: 32961-44-7
3,5-diamino-4-chlorobenzoic acid isobutyl ester

: 1426244-84-9
6-amino-7-chloro-2-(2-hydroxy-4-nitrophenyl)-2H-benzotriazole-4-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide; water / ethanol / 1 h 2.1: hydrogenchloride; sodium nitrite / water / 1.25 h / 10 °C 2.2: 3.5 h / pH 6 3.1: copper(ll) sulfate pentahydrate; ammonia / water; isopropyl alcohol / 30 h / Reflux View Scheme

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:87 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 32961-44-7

Specification

The Benzoic acid,3,5-diamino-4-chloro-, 2-methylpropyl ester is an organic compound with the formula C₁₁H₁₅ClN₂O₂. The systematic name of this chemical is 2-methylpropyl 3,5-diamino-4-chlorobenzoate. With the CAS registry number 32961-44-7, it is also named as Isobutyl 4-chloro-3,5-diaminobenzoate. The product's categories are C10 to C11; Carbonyl Compounds; Esters. It is solid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of Benzoic acid,3,5-diamino-4-chloro-, 2-methylpropyl ester can be summarized as: (1)ACD/LogP: 2.60 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.89; (6)ACD/BCF (pH 7.4): 55.9; (7)ACD/KOC (pH 5.5): 619.91; (8)ACD/KOC (pH 7.4): 620.02; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 65.25 cm³; (15)Molar Volume: 193.7 cm³; (16)Polarizability: 25.86×10^-24 cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 189.7 °C; (20)Enthalpy of Vaporization: 63.95 kJ/mol; (21)Boiling Point: 390.1 °C at 760 mmHg; (22)Vapour Pressure: 2.72E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1c(cc(C(=O)OCC(C)C)cc1N)N
2. InChI:InChI=1/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3
3. InChIKey:KHUIRIRTZCOEMK-UHFFFAOYAA
4. Std. InChI:InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3
5. Std. InChIKey:KHUIRIRTZCOEMK-UHFFFAOYSA-N