4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid
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Basic information
- CAS
211942-53-9- Standard SMILES
Cn1nnc(-c2ccc(C(=O)O)cc2)n1- InChIKey
UIFGGGQNSDTGGO-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.06472551
Names & identifiers
- Preferred name
- 4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid
- IUPAC
- 4-(2-methyltetrazol-5-yl)benzoic acid
- English name
- CHEMBRDG-BB 7926714
- Molecular formula
- C9H8N4O2
- Molecular weight
- 204.19
Names & synonyms
4-(2-methyl-2H-tetrazol-5-yl)benzoic acid211942-53-9DTXSID60318931RefChem:287314DTXCID50270054846-304-44-(2-methyltetrazol-5-yl)benzoic acid4-(2-Methyl-2H-tetrazol-5-yl)-benzoic acidMFCD060006984-(2-methyl-1,2,3,4-tetraazol-5-yl)benzoic acid4-(2-methyl-1,2,3,4-tetrazol-5-yl)benzoic acidNSC338096
Show more names
CBI-BB ZERO/009445CHEMBRDG-BB 7926714Benzoic acid, 4-(2-methyl-2H-tetrazol-5-yl)-4-(2-methyl-2H-tetrazol-5-yl)benzoic acid(SALTDATA: FREE)
SCHEMBL30874904-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzoic acidHMS1599K22SBB018608STK667349AKOS000112622AT30309NSC-338096
Database identifiers
- CAS
211942-53-9- PubChem CID
- 333944
- DTXSID
DTXSID60318931- EC Number
- 846-304-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · 3
- 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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
2 records
Compound notes
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