1-Amino-4-chloronaphthalene

Base Information

• Chemical Name: 1-Amino-4-chloronaphthalene
• CAS No.: 4684-12-2
• Molecular Formula: C10H8 Cl N
• Molecular Weight: 177.633
• European Community (EC) Number: 225-138-0
• NSC Number: 60276
• DSSTox Substance ID: DTXSID40196956
• Nikkaji Number: J297.885G
• Wikidata: Q83069922
• Mol file: 4684-12-2.mol

Synonyms:1-Amino-4-chloronaphthalene;4-chloronaphthalen-1-amine;4684-12-2;4-Chloronaphthylamine;1-Naphthalenamine, 4-chloro-;4-Chloro-1-naphthylamine;4-Chloro-1-naphthalenamine;1-Naphthylamine, 4-chloro-;NSC60276;4-Cholo-1-naphthylamine;SCHEMBL1024142;DTXSID40196956;1-Amino-4-chloronaphthalene, 98%;EINECS 225-138-0;MFCD00004024;NSC 60276;NSC-60276;STL195346;AKOS015894716;AC-27712;BS-22679;CS-0158106;FT-0635392

Chemical Property of 1-Amino-4-chloronaphthalene

Chemical Property:

• Melting Point: 98-100oC(lit.)
• Boiling Point: 338.4°Cat760mmHg
• PKA: 2.93±0.10(Predicted)
• Flash Point: 158.4°C
• PSA: 26.02000
• Density: 1.289g/cm³
• LogP: 3.65660
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.0345270
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Amino-4-chloronaphthalene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)N

Technology Process of 1-Amino-4-chloronaphthalene

There total 16 articles about 1-Amino-4-chloronaphthalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.5%

1-chloro-4-nitronaphthalene (605-61-8) → 1-amino-4-chloronaphthalene (4684-12-2)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 80 ℃; for 4h;

Reference yield:

1-Nitronaphthalene (86-57-7) → 1-amino-4-chloronaphthalene (4684-12-2) + 1-amino-naphthalene (134-32-7)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1111/1468-0289.00170

Reference yield:

1-acetamidonaphthalene (575-36-0) → 1-amino-4-chloronaphthalene (4684-12-2)

Guidance literature:

With hydrogenchloride; sodium chlorate; acetic acid; Erwaermen des Reaktionsprodukts mit wss.aethanol.Schwefelsaeure;

DOI:10.1021/jo01173a003 DOI:10.1039/jr9480001183

upstream raw materials:

tertiary amyl hypochlorite

N-benzylidenenaphthalen-1-amine

1-Nitronaphthalene

1-chloro-4-nitronaphthalene

Downstream raw materials:

1-chloro-4-iodo-naphthalene

N-(2-chloro-ethyl)-N'-(4-chloro-[1]naphthyl)-urea

1-(4-chloronaphthalen-1-yl)-3-(2-phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)urea

5-(3-(4-chloronaphthalen-1-yl)ureido)-N,4-dimethyl-1-phenyl-1H-pyrazole-3-carboxamide

Refernces

• 1、 Guan, Dinghui,Han, Lu,Wang, Lulu,Song, He,Chu, Wenyi,Sun, Zhizhong. "Direct cyanation of picolinamides using K4[Fe(CN)6] as the cyanide source". supporting information. p. 743 - 745. Retrieved 2015/06/22.