CAS
16687-12-0 Purity
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16687-12-0 Purity
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2H-Tetrazole,5-(4-chlorophenyl)-
CAS
16687-61-9
Catalog Number
ACM16687619
Category
Other Products
Molecular Weight
180.59
Molecular Formula
C7H5ClN4
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- Product Description
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Specification
Synonyms
Bionet2_000295, 5-(4-chlorophenyl)-1H-tetraazole, NSC86301, 5-(4-chlorophenyl)-1H-tetrazole, CID257758, STK208775, BBV-153799, 6F-900, AG-690/32526043, 16687-61-9, InChI=1/C7H5ClN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12
IUPAC Name
5-(4-chlorophenyl)-2H-tetrazole
SMILES
C1=CC(=CC=C1C2=NNN=N2)Cl
InChI Key
BGKOVWIBDZMJPN-UHFFFAOYSA-N
Boiling Point
356.2ºC at 760mmHg
Melting Point
262-264ºC
Flash Point
200.4ºC
Density
1.448g/cm³
Exact Mass
180.02000
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
S26-S36
Upstream Synthesis Route 1
- 3848-36-0
- 16687-61-9
Reference: [1] Synthesis (Germany), 2018, vol. 50, # 6, p. 1293 - 1300
[2] Tetrahedron Letters, 2012, vol. 53, # 29, p. 3706 - 3709
[3] Synlett, 2016, vol. 27, # 15, p. 2225 - 2228
[4] Tetrahedron Letters, 2016, vol. 57, # 5, p. 523 - 524
[5] Tetrahedron, 2018, vol. 74, # 31, p. 4226 - 4235
Upstream Synthesis Route 2
- 623-03-0
- 16687-61-9
Reference: [1] Journal of the Brazilian Chemical Society, 2012, vol. 23, # 12, p. 2197 - 2203
Upstream Synthesis Route 3
- 104-88-1
- 16687-61-9
Reference: [1] RSC Advances, 2016, vol. 6, # 94, p. 91999 - 92006
Upstream Synthesis Route 4
- 623-03-0
- 16687-61-9
Reference: [1]Journal of the Brazilian Chemical Society,2012,vol. 23,p. 2197 - 2203
Downstream Synthesis Route 1
- 16687-61-9
- 78-94-4
- 124313-49-1
Reference: [1]Bulletin des Societes Chimiques Belges,1989,vol. 98,p. 277 - 284
Downstream Synthesis Route 2
- 16687-61-9
- 107-13-1
- 124313-48-0
Reference: [1]Bulletin des Societes Chimiques Belges,1989,vol. 98,p. 277 - 284
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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