Basic information
- CAS
18489-25-3- Standard SMILES
c1ccc(Cc2nn[nH]n2)cc1- InChIKey
HHDRWGJJZGJSGZ-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 5-Benzyl-1H-tetrazole
- IUPAC
- 5-benzyl-2H-tetrazole
- English name
- 5-Benzyl-1H-tetrazole
- Molecular formula
- C8H8N4
- Molecular weight
- 160.18
Names & synonyms
5-Benzyl-1H-tetrazoleDTXSID30279040RefChem:1072660DTXCID3023019618489-25-35-benzyl-2H-tetrazole5-benzyltetrazole1H-Tetrazole, 5-(phenylmethyl)-5-Benzyl-2H-1,2,3,4-Tetraazole5-(Phenylmethyl)-1H-tetrazole5-benzyl-1H-1,2,3,4-tetrazoleMFCD00068730
Show more names
RARECHEM AQ NN 0434SALOR-INT L158364-1EA5-Benzyl-Ih-Tetrazole5-(benzyl)-2H-tetrazole5-Benzyl-1H-tetrazole>5-(PHENYLMETHYL)-1H-TETRAZOLE5-BENZYL-1H-1,2,3,4,TETRAZOLE5-(phenylmethyl)-2H-tetrazole
5-phenylmethyltetrazole5-benzyl-1H-tetraazoleMaybridge1_0037295-benzyl-1H-1,2,3,4-tetraazoleNSC11121Bionet2_000438MLS000069180SCHEMBL232998
Database identifiers
- CAS
18489-25-3- PubChem CID
- 223451
- DTXSID
DTXSID30279040- ChEMBL
CHEMBL1565370- EC Number
- 123-294-3
- Nikkaji
- J957.005E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
LogP1.36
Physicochemical properties
- Melting point
- 117 · 117-121
- Boiling point
- 356.6 · 356.6±35.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Ethanol
- form
- powder to crystal
- pka
- 5 · 5.00±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 18489 · 18489-25-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29339980
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers67 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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