2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
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Basic information
- CAS
720706-28-5- Standard SMILES
Cc1nc(CC(=O)O)n[nH]1- InChIKey
RIRHAWIZPRZONH-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
- IUPAC
- 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid
- English name
- (5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acidRefChem:455719840-609-6720706-28-52-(5-methyl-4H-1,2,4-triazol-3-yl)acetic acid(5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic AcidMFCD05864547(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)ACETIC ACID2-(5-Methyl-4H-1,2,4-triazol-3-yl)aceticacid(5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID;2-(5-METHYL-4H-1,2,4-TRIAZOL-3YL)ACETICACID2-(3-Methyl-1H-[1,2,4]triazol-5-yl)acetic acid
Show more names
5-Methyl-1H-1,2,4-triazole-3-acetic acid1H-1,2,4-Triazole-5-acetic acid, 3-Methyl-2-(5-METHYL-4H-1,2,4-TRIAZOL-3YL)ACETICACID(3-Methyl-1H-[1,2,4]triazol-5-yl)acetic acid
SCHEMBL8735833-METHYL-1H-1,2,4-TRIAZOLE-5-ACETIC ACIDSCHEMBL3433464SCHEMBL12050709DTXSID90427126RIRHAWIZPRZONH-UHFFFAOYSA-NALBB-030483CS-B0653
Database identifiers
- CAS
720706-28-5- PubChem CID
- 7019477
- DTXSID
DTXSID90427126- EC Number
- 840-609-6
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Density
- 1.441 · 1.441
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H412-H226
- Precautionary statements
- 501 · P501-P273-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P312+P330-P403+P235
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
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H302-H412-H226
- Precautionary statements
- P501-P273-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P312+P330-P403+P235
Chemistry & industry
Applications
Uses2-(5-Methyl-4H-1,2,4-triazol-3-yl)acetic Acid, is a building block used in the synthesis of various compounds,
Suppliers
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Related reactions
9 records
Compound notes
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