(3-Nitro-1H-1,2,4-triazol-1-yl)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
116419-36-4- Standard SMILES
O=C(O)Cn1cnc([N+](=O)[O-])n1- InChIKey
JNJSKDYVVRMEPN-UHFFFAOYSA-N- Molecular formula
- C4H4N4O4
- Average molar mass
- 172.1 g/mol
- Monoisotopic mass
- 172.02325462
Names & identifiers
- Preferred name
- (3-Nitro-1H-1,2,4-triazol-1-yl)acetic acid
- IUPAC
- 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid
- English name
- (3-NITRO-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID
- Molecular formula
- C4H4N4O4
- Molecular weight
- 172.1
Names & synonyms
116419-36-4(3-nitro-1H-1,2,4-triazol-1-yl)acetic acidDTXSID50361330{3-nitro-1H-1,2,4-triazol-1-yl}acetic acidRefChem:207769DTXCID20312379696-424-42-(3-nitro-1H-1,2,4-triazol-1-yl)acetic acid2-(3-nitro-1,2,4-triazol-1-yl)acetic acidMFCD002973071H-1,2,4-Triazole-1-acetic acid, 3-nitro-(3-Nitro-[1,2,4]triazol-1-yl)-acetic acid
Show more names
AKOS B020481ART-CHEM-BB B020481CHEMBRDG-BB 5673389TIMTEC-BB SBB007109
1-Carboxymethyl-3-nitro-1,2,4-triazole2-(3-nitro-1,2,4-triazolyl)acetic acidOprea1_812578SCHEMBL298563ALBB-006426SBB007109STK353621AKOS000265075
Database identifiers
- CAS
116419-36-4- PubChem CID
- 1242264
- DTXSID
DTXSID50361330- EC Number
- 696-424-4
- Nikkaji
- J2.148.310I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- 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]
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…