2-(5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
27582-37-2- Standard SMILES
O=C(O)Cn1nnc(-c2ccc(Cl)cc2)n1- InChIKey
IFIZLMBMWFHCOO-UHFFFAOYSA-N- Molecular formula
- C9H7ClN4O2
- Average molar mass
- 238.63 g/mol
- Monoisotopic mass
- 238.0257532
Names & identifiers
- Preferred name
- 2-(5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
- IUPAC
- 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid
- English name
- 5-(4-CHLOROPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID
- Molecular formula
- C9H7ClN4O2
- Molecular weight
- 238.63
Names & synonyms
2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid2-(5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acidRefChem:458532894-001-027582-37-2[5-(4-chlorophenyl)-2H-tetrazol-2-yl]acetic acid2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid2H-Tetrazole-2-acetic acid, 5-(4-chlorophenyl)-BAS 09688735Oprea1_790381SCHEMBL17504554DTXSID10360263
Show more names
CBA58237STK684584AKOS000628403ST4109008CS-0234906EN300-14963G199772-[5-(4-chlorophenyl)-1,2,3,4-tetraazol-2-yl]acetic acid
Database identifiers
- CAS
27582-37-2- PubChem CID
- 1096293
- DTXSID
DTXSID10360263- EC Number
- 894-001-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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