Basic information
- CAS
16681-65-5- Standard SMILES
Cn1ccnn1- InChIKey
JWAWEQBUZOGIBZ-UHFFFAOYSA-N- Molecular formula
- C3H5N3
- Average molar mass
- 83.09 g/mol
- Monoisotopic mass
- 83.04834717
Names & identifiers
- Preferred name
- 1-Methyl-1H-1,2,3-triazole
- IUPAC
- 1-methyltriazole
- English name
- 1-Methyl-1,2,3-triazole
- Molecular formula
- C3H5N3
- Molecular weight
- 83.09
Names & synonyms
1-methyl-1H-1,2,3-triazole16681-65-5DTXSID90937250RefChem:433783DTXCID501365824816-330-0InChI=1/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H1-Methyl-1,2,3-triazole1-METHYLTRIAZOLE1H-1,2,3-Triazole, 1-methyl-MFCD097437931-methyl-1H-[1,2,3]triazole
Show more names
1-Methyl-1NISTC16681655methyltriazole1-Methyl-1,2,3-triazole CAS:16681-65-5
AKOS006331669CS-W018672AB51214SY045526WMHAMY231021-methyl-1H-1FT-0652678
Database identifiers
- CAS
16681-65-5- PubChem CID
- 140119
- DTXSID
DTXSID90937250- EC Number
- 816-330-0
- Nikkaji
- J259.305J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 45
Physicochemical properties
- Boiling point
- 223 · 223-225 °C
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.4 · 1.40±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3
- InChIKey
- JWAWEQBUZOGIBZ-UHFFFAOYSA-N
- SMILES
- N1(C)C=CN=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
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]；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, 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn azole compound used for binding affinity with various cytochrome P 450 (CYP) proteins.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
42 records
Compound notes
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