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5-(2-Bromophenyl)-1-(triphenylmethyl)-1H-tetrazole

HCID 10695555
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
143945-72-6
Standard SMILES
Brc1ccccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
KHMJZQFKDOBODS-UHFFFAOYSA-N
Molecular formula
C26H19BrN4
Average molar mass
467.4 g/mol
Monoisotopic mass
466.07931

Names & identifiers

Preferred name
5-(2-Bromophenyl)-1-(triphenylmethyl)-1H-tetrazole
IUPAC
5-(2-bromophenyl)-1-trityltetrazole
English name
5-(2-Bromophenyl)-1-(triphenylmethyl)-1H-tetrazole
Molecular formula
C26H19BrN4
Molecular weight
467.36

Names & synonyms

5-(2-Bromophenyl)-1-(triphenylmethyl)-1H-tetrazole143945-72-6DTXSID50443605RefChem:299396DTXCID503944265-(2-bromophenyl)-1-trityltetrazole5-(2-bromophenyl)-1-(triphenylmethyl)-1H-1,2,3,4-tetrazoleC26H19BrN45-(2-bromophenyl)-1-trityl-tetrazoleMFCD09263643SCHEMBL2447241KHMJZQFKDOBODS-UHFFFAOYSA-N
Show more names
N-trityl-5-(2-bromophenyl)tetrazoleN-(Triphenylmethyl)-5-(2-bromophenyl)-1H-tetrazole1-[[2,3-bis(phenylmethyl)phenyl]methyl]-5-(2-bromophenyl)tetrazole
AKOS0158352365-(2-bromophenyl)-1-trityl-1H-tetrazoleF9027410.14272/KHMJZQFKDOBODS-UHFFFAOYSA-N.15-(2-Bromophenyl)-1-triphenylmethyl-1H-tetrazoledoi:10.14272/KHMJZQFKDOBODS-UHFFFAOYSA-N.11H-Tetrazole, 5-(2-bromophenyl)-1-(triphenylmethyl)-

Database identifiers

CAS
143945-72-6
PubChem CID
10695555
DTXSID

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
43.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Formal charge
0
Complexity
508

Physicochemical properties

Boiling point
623.2 · 623.2±65.0 °C(Predicted)
Density
1.33 · 1.33
pka
0.16 · 0.16±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

2-Butyl-4-chloro-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxaldehyde

Suppliers16 total

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
山东小野化学股份有限公司0539-6362799 20)
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司

Related reactions

3 records
New reaction record
HRID 486039 reaction equation
HRID 486039As productuspto-grants-1994_03
HRID 803854 reaction equation
HRID 803854As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1654155 reaction equation
HRID 1654155As productuspto-grants-1995_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
DTXSID50443605
025-58859352 15955137747 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]