Basic information
- CAS
123372-69-0- Standard SMILES
OCc1ncn[nH]1- InChIKey
UDDMDSNULOKCLP-UHFFFAOYSA-N- Molecular formula
- C3H5N3O
- Average molar mass
- 99.09 g/mol
- Monoisotopic mass
- 99.04326179
Names & identifiers
- Preferred name
- (1H-1,2,4-triazol-3-yl)methanol
- IUPAC
- 1H-1,2,4-triazol-5-ylmethanol
- English name
- (1H-1,2,4-triazol-3-yl)Methanol
- Molecular formula
- C3H5N3O
- Molecular weight
- 99.09
Names & synonyms
(1H-1,2,4-TRIAZOL-3-YL)METHANOLRefChem:392717836-810-3123372-69-0(1H-1,2,4-Triazol-5-yl)methanol1H-1,2,4-triazol-5-ylmethanol1H-1,2,4-Triazole-3-methanol(1H-[1,2,4]Triazol-3-yl)-methanol1H-1,2,4-Triazole-5-methanolMFCD09878856(4H-1,2,4-triazol-3-yl)methanolSCHEMBL1659029
Show more names
SCHEMBL1751814SCHEMBL1751815SCHEMBL2003609SCHEMBL2003610SCHEMBL2010079SCHEMBL2010081SCHEMBL3844014SCHEMBL7669889
Database identifiers
- CAS
123372-69-0- PubChem CID
- 424449
- DTXSID
DTXSID00329849- EC Number
- 836-810-3
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 58.1
Physicochemical properties
- Boiling point
- 359.5 · 359.5±44.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 10.18 · 10.18±0.20(Predicted)
- Appearance
- White to off-white Solid
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1H-1,2,4-Triazole-3-methanol is a useful synthetic intermediate. It is used to prepare heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists.It is also used to synthesize GABAA receptor agonists at the α3 subunit.
Suppliers16 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
上海智乾生物科技有限公司[email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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