1-Benzyl-5-phenyl-1H-tetraazole

HCID 307907
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Basic information

CAS
28386-90-5
Standard SMILES
c1ccc(Cn2nnnc2-c2ccccc2)cc1
InChIKey
YTRHEDWQEBRFOU-UHFFFAOYSA-N
Molecular formula
C14H12N4
Average molar mass
236.27 g/mol
Monoisotopic mass
236.1061964

Names & identifiers

Preferred name
1-Benzyl-5-phenyl-1H-tetraazole
IUPAC
1-benzyl-5-phenyltetrazole
English name
1-benzyl-5-phenyltetrazole
Molecular formula
C14H12N4
Molecular weight
236.27

Names & synonyms

1-BENZYL-5-PHENYL-1H-TETRAAZOLERefChem:429979657-066-41-benzyl-5-phenyltetrazole28386-90-51-benzyl-5-phenyl-1H-tetrazole1-benzyl-5-phenyl-1h-1,2,3,4-tetrazoleNSC206232N-Benzyl 5-PhenyltetrazoleSCHEMBL4403732SCHEMBL9434857DTXSID40308653
Show more names
1H TETRAZOLE-5-PHENYL-1-(PHENYLMETHYL)
YTRHEDWQEBRFOU-UHFFFAOYSA-N1-BENZYL-5-PHENYL TETRAZOLEAKOS024327113NSC-206232

Database identifiers

CAS
28386-90-5
PubChem CID
307907
DTXSID
DTXSID40308653
EC Number
657-066-4
Nikkaji
J645.653G

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
43.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Melting point
65.5 · 65.5-66 °C
Boiling point
430.3 · 430.3±38.0 °C(Predicted)
Density
1.19 · 1.19±0.1 g/cm3(Predicted)
pka
0.86 · 0.86±0.10(Predicted)
Symbol(GHS)
6 · GHS06
Signal word
Danger

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H315-H319-H301-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Upstream & downstream products

Suppliers8 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海天时化工有限公司021-57951555 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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