1-Butyl-1H-benzotriazole
Basic information
- CAS
708-43-0- Standard SMILES
CCCCn1nnc2ccccc21- InChIKey
IDXCVQOKCGDSOR-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 1-Butyl-1H-benzotriazole
- IUPAC
- 1-butylbenzotriazole
- English name
- 1-n-Butylbenzotriazole
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23
Names & synonyms
708-43-01-butyl-1H-benzotriazoleDTXSID90402877RefChem:1055162DTXCID703537321-Butyl-1H-benzo[d][1,2,3]triazole1-butylbenzotriazole1-butyl-1H-1,2,3-benzotriazoleMFCD012496421-n-ButylbenzotriazoleCHEMBL4252301-Butyl benzotriazole
Show more names
1-Butylbenzotriazole=BBT1H-Benzotriazole, 1-butyl-
SCHEMBL730645SCHEMBL1834794SCHEMBL28726870BDBM50234604AKOS003644565AS-57777SY332629CS-0061500
Database identifiers
- CAS
708-43-0- PubChem CID
- 4401906
- DTXSID
DTXSID90402877- ChEMBL
CHEMBL425230- Nikkaji
- J1.603.416I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
LogP2.57
Physicochemical properties
- Boiling point
- 170 · 170-172 °C
- Density
- 1.12 · 1.12
- storage temp.
- 2 · 2-8°C
- pka
- 1.44 · 1.44±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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