(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanol
Basic information
- CAS
120321-72-4- Standard SMILES
Cn1nnc2cc(CO)ccc21- InChIKey
HVLCKOBNGNRDPT-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.07456192
Names & identifiers
- Preferred name
- (1-methyl-1H-1,2,3-benzotriazol-5-yl)methanol
- IUPAC
- (1-methylbenzotriazol-5-yl)methanol
- English name
- 1-Methyl-1H-benzotriazole-5-methanol
- Molecular formula
- C8H9N3O
- Molecular weight
- 163.18
Names & synonyms
(1-Methyl-1H-1,2,3-Benzotriazol-5-Yl)Methanol1-Methyl-1H-benzotriazole-5-methanolRefChem:392293820-369-9120321-72-4(1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanol(1-methylbenzotriazol-5-yl)methanolMFCD00962482RYD1H-Benzotriazole-5-methanol, 1-methyl-SCHEMBL1939333DTXSID20380179
Show more names
1-Methyl-1H-benzotriazol-5-methanol(1-METHYL-1,2,3-BENZOTRIAZOL-5-YL)METHANOL(1-Methyl-1H-1,2,3-benzotriazole-5-yl)Methanol
HVLCKOBNGNRDPT-UHFFFAOYSA-NSBB067314AKOS006228041AC-4627DS-1484PS-4303SDCCGMLS-0066043.P001(1-methylbenzotriazol-5-yl)methan-1-ol
Database identifiers
- CAS
120321-72-4- PubChem CID
- 2776552
- DTXSID
DTXSID20380179- EC Number
- 820-369-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 375.1 · 375.1±17.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.85 · 13.85±0.10(Predicted)
- CAS DataBase Reference
- 120321 · 120321-72-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
- 26 · 26-36/37/39-24/25-39
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-24/25-39
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses(1-Methyl-1H-1,2,3-benzotriazol-5-yl)methanol is a building block used in the preparation of pyrimidine derivatives as histone deacetylase inhibitors.
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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