CAS No.118-04-7,2-(3-Amino-4-chloro-benzoyl)benzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118-04-7
Name:	2-(3-Amino-4-chloro-benzoyl)benzoic acid
Article Data:	6

Formula:	C₁₄H₁₀ClNO₃
Molecular Weight:	275.691
Synonyms:	Benzoicacid, o-(3-amino-4-chlorobenzoyl)- (7CI,8CI);2-(3-Amino-4-chlorobenzoyl)benzoic acid;2-[(3-Amino-4-chlorophenyl)carbonyl]benzoicacid;3'-Amino-4'-chloro-o-benzoylbenzoic acid;4-Chloro-3-aminobenzophenone-2'-carboxylic acid;NSC 74496;o-(3-Amino-4-chlorobenzoyl)benzoic acid;
EINECS:	204-230-4
Density:	1.418 g/cm³
Melting Point:	181.5-182.0 °C(Solv: ethanol (64-17-5))
Boiling Point:	538.6 °C at 760 mmHg
Flash Point:	279.5 °C
Appearance:	white crystal
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	80.39000
LogP:	3.43260

Synthetic route

: 85-54-1
2-(4'-chloro-3'-nitrobenzoyl)benzoic acid

: 118-04-7
NSC 74496

Conditions

Conditions	Yield
With hydrogen; sodium carbonate; Pt/Al2O3 In water at 60 - 80℃; under 15001.2 - 30002.4 Torr;	98%
Stage #1: 2-(4'-chloro-3'-nitrobenzoyl)benzoic acid With sodium nitrate; potassium carbonate; 5-chloroanthranilic acid; potassium iodide; copper(l) chloride at 60 - 70℃; for 3h; Stage #2: With ammonium chloride; sodium hydrogensulfite at 20 - 50℃; for 1.5h; Concentration;	95%
With chromium dichloride; manganese; chloro-trimethyl-silane In tetrahydrofuran Reduction;	70%
With hydrogenchloride; tin(ll) chloride In ethanol

: 85-56-3
2-(4-chlorobenzoyl)benzoic acid

: 118-04-7
NSC 74496

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NO2/HNO3 / Ambient temperature 2: SnCl2, aq. HCl / ethanol View Scheme

: 108-24-7
acetic anhydride

: 118-04-7
NSC 74496

: 2-(3-acetylamino-4-chloro-benzoyl)-benzoic acid

Conditions

Conditions	Yield
With acetic acid

: 118-04-7
NSC 74496

: 733053-53-7
2-chloro-3-hydroxy-anthraquinone

Conditions

Conditions	Yield
With sulfuric acid; acetic acid Diazotization.Erhitzen der mit konz.Schwefelsaeure versetzten Diazoloesung auf 200grad;

: 118-04-7
NSC 74496

A: 4859-54-5
1-amino-4-bromo-2-chloro-anthraquinone

B: 117-01-1
2-amino-1-bromo-3-chloro-anthraquinone

Conditions

Conditions	Yield
With sulfuric acid Behandeln der mit Wasser versetzten Reaktionsloesung mit Brom;

: 118-04-7
NSC 74496

A: 117-07-7
1-amino-2-chloro-9,10-anthraquinone

B: 84-46-8
2-amino-3-chloro-9,10-anthracenedione

Conditions

Conditions	Yield
With sulfuric acid

: 118-04-7
NSC 74496

: 84-46-8
2-amino-3-chloro-9,10-anthracenedione

Conditions

Conditions	Yield
With sulfuric acid at 200℃;

: 118-04-7
NSC 74496

: 858842-54-3
2-(3-amino-4-chloro-benzyl)-benzoic acid

Conditions

Conditions	Yield
With ammonium hydroxide; copper(II) sulfate; zinc

: 118-04-7
NSC 74496

: 68592-12-1
2-(4-chloro-3-chlorosulfonyl-benzoyl)-benzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; sodium nitrite und anschliessed mit SO2 und CuCl2;

: 7664-93-9
sulfuric acid

: 118-04-7
NSC 74496

: 84-46-8
2-amino-3-chloro-9,10-anthracenedione

Conditions

Conditions	Yield
at 200℃;

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Specification

The Benzoic acid,2-(3-amino-4-chlorobenzoyl)- , with cas registry number of 118-04-7, belongs to the categorie of Organic acids. Its systematic name and IUPAC name are the same which is called 2-(3-amino-4-chlorobenzoyl)benzoic acid . This chemical is also known as o-(3-Amino-4-chlorobenzoyl)benzoic acid . Its EINECS registry number is 204-230-4.

Physical properties about this chemical are: (1) ACD/LogP: 2.77 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.59 ; (4) ACD/LogD (pH 7.4): -0.33 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 4.98 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 3 ; (11) #Freely Rotating Bonds: 4 ; (12) Polar Surface Area: 46.61 Å² ; (13) Index of Refraction: 1.664; (14) Molar Refractivity: 72.1 cm³ ; (15) Molar Volume: 194.3 cm³ ; (16) Surface Tension: 64.5 dyne/cm ; (17) Density: 1.418 g/cm³ ; (18) Flash Point: 279.5 °C; (19) Enthalpy of Vaporization: 85.86 kJ/mol ; (20) Boiling Point: 538.6 °C at 760 mmHg ; (21) Vapour Pressure: 1.97E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:Clc2ccc(C(=O)c1ccccc1C(=O)O)cc2N;
(2) InChI:InChI=1/C14H10ClNO3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19);
(3) InChIKey:MQECGSWGDQIHHD-UHFFFAOYAB