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Cas Database |
| Name |
2-Amino-4'-chlorobiphenyl hydrochloride |
EINECS | 601-706-7 |
| CAS No. | 1204-44-0 | Density | 1.205 g/cm3 |
| PSA | 26.02000 | LogP | 4.17040 |
| Solubility | N/A | Melting Point |
45.0 to 49.0 °C |
| Formula | C12H10ClN | Boiling Point | 334.6 °C at 760 mmHg |
| Molecular Weight | 203.671 | Flash Point | 156.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Biphenylamine,4'-chloro- (7CI,8CI);2-Amino-4'-chlorobiphenyl;4'-Chloro-1,1'-biphenyl-2-amine;4'-Chlorobiphenyl-2-ylamine;NSC 95712; |
Article Data | 116 |
2-Amino-4'-chlorobiphenyl hydrochloride Synthetic route
| Conditions | Yield |
|---|---|
| With iron(III) chloride; hydrazine hydrate; potassium carbonate; pyrographite In methanol; water at 85℃; for 2h; | 99% |
| With iron(III)-acetylacetonate; hydrazine hydrate In methanol at 150℃; Microwave irradiation; Green chemistry; | 98% |
| With trichlorosilane; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 0.833333h; Flow reactor; | 98% |
| Conditions | Yield |
|---|---|
| With palladium diacetate; sodium carbonate In ethanol; water at 100℃; for 24h; Reagent/catalyst; Temperature; Solvent; Suzuki Coupling; | 97% |
| With tetrabutylammomium bromide; C32H26Cl2N8O4Pd2; potassium carbonate In methanol; water for 0.166667h; Suzuki-Miyaura Coupling; Reflux; | 97% |
| With potassium phosphate; 1,3-bis[(methyl-2-methoxy-3-deoxy-4,6-dioxabenzylidene-α-D-altropyranos-3-yl)imidazol-2-ylcarbene]allylpalladium(II) chloride In dodecane; water; toluene at 130℃; for 12h; Reagent/catalyst; Suzuki-Miyaura Coupling; | 95% |
- 1204-44-0
2-(4-chlorophenyl)aniline
| Conditions | Yield |
|---|---|
| With hydrogen bromide; Aliquat 336 In octane; water at 130℃; for 12h; Inert atmosphere; | 93% |
- 49609-84-9
2-Chloronicotinoyl chloride
- 1679-18-1
4-Chlorophenylboronic acid
- 88-73-3
2-Chloronitrobenzene
- 1204-44-0
2-(4-chlorophenyl)aniline
| Conditions | Yield |
|---|---|
| Stage #1: 4-Chlorophenylboronic acid; 2-Chloronitrobenzene With potassium phosphate; C46H52Cl3N3O2Pd In tetrahydrofuran; water at 60℃; for 4h; Suzuki-Miyaura Coupling; Stage #2: With hydrogenchloride; zinc Stage #3: 2-Chloronicotinoyl chloride | 93% |
- 1204-44-0
2-(4-chlorophenyl)aniline
| Conditions | Yield |
|---|---|
| With sodium hypochlorite; sodium hydroxide In ethanol at 10 - 50℃; Cooling with ice; | 92.6% |
| Stage #1: 4'-chlorobiphenyl-2-carboxamide With sodium hydroxide In methanol for 0.5h; Stage #2: With sodium hypochlorite In methanol at 0 - 50℃; for 2.5h; Reagent/catalyst; Solvent; | 88% |
| With water; bromine; sodium hydroxide at 0 - 5℃; for 1h; | 6 g |
| With sodium hypochlorite at 20℃; for 6h; Hofmann Rearrangement; |
| Conditions | Yield |
|---|---|
| With palladium diacetate; potassium carbonate In water; acetone at 65℃; Inert atmosphere; | 92% |
| With D-glucose; palladium diacetate; caesium carbonate In water; N,N-dimethyl-formamide at 100℃; for 16h; Suzuki-Miyaura Coupling; Sealed tube; | 88% |
| With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In 1,2-dimethoxyethane at 80℃; for 16h; Inert atmosphere; Schlenk technique; | 84% |
| Conditions | Yield |
|---|---|
| With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); zinc(II) chloride In tetrahydrofuran at 10 - 15℃; for 7h; Inert atmosphere; | 91.6% |
| With bis(triphenylphosphine)nickel(II) chloride; zinc(II) chloride In tetrahydrofuran at 10 - 15℃; for 7h; Inert atmosphere; | 91.6% |
- 89346-58-7
4′-chloro-1,1′-biphenyl-2yl-carbonitrile
- 1204-44-0
2-(4-chlorophenyl)aniline
| Conditions | Yield |
|---|---|
| Stage #1: 4′-chloro-1,1′-biphenyl-2yl-carbonitrile With dihydrogen peroxide; sodium hydroxide In ethanol; water Stage #2: With sodium hypochlorite; sodium hydroxide In ethanol; water Hofmann rearrangement; | 82% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-amino-benzeneboronic acid hydrochloride; 1-Chloro-4-iodobenzene With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; triphenylphosphine In ethanol; toluene at 20℃; for 0.0833333h; Stage #2: In ethanol; water; toluene at 120℃; for 2h; Inert atmosphere; Sealed tube; | 75% |
- 1204-44-0
2-(4-chlorophenyl)aniline
| Conditions | Yield |
|---|---|
| With Red-Al In toluene at 110℃; | 75% |
2-Amino-4'-chlorobiphenyl hydrochloride Specification
The [1,1'-Biphenyl]-2-amine,4'-chloro-, with its CAS registry number 1204-44-0, has the IUPAC name of 2-(4-chlorophenyl)aniline. With the molecular foumula of C12H10ClN, its formula weight is 203.67.
The characteristics of [1,1'-Biphenyl]-2-amine,4'-chloro- are as follows: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.564; (4)ACD/LogD (pH 7.4): 3.566; (5)ACD/BCF (pH 5.5): 300.51; (6)ACD/BCF (pH 7.4): 302.221; (7)ACD/KOC (pH 5.5): 2063.232; (8)ACD/KOC (pH 7.4): 2074.973; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 59.976 cm3; (15)Molar Volume: 168.949 cm3; (16)Polarizability: 23.776×10-24cm3; (17)Surface Tension: 46.987 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 156.163 °C; (20)Enthalpy of Vaporization: 57.758 kJ/mol; (21)Boiling Point: 334.603 °C at 760 mmHg; (22)Exact Mass: 203.050177; (23)MonoIsotopic Mass: 203.050177; (24)Topological Polar Surface Area: 26; (25)Heavy Atom Count: 14; (26)Complexity: 175; (27)Covalently-Bonded Unit Count: 1.
When you are dealing with this chemical, you should be careful. Being irritating to respiratory system, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and then if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N
(2)InChI: InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2
(3)InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
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