Basic information
- CAS
938-56-7- Standard SMILES
OCCn1nnc2ccccc21- InChIKey
VHEODZYQZLRPTF-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.07456192
Names & identifiers
- Preferred name
- 1H-Benzotriazole-1-ethanol
- IUPAC
- 2-(benzotriazol-1-yl)ethanol
- English name
- 2-(1H-benzotriazol-1-yl)ethanol
- Molecular formula
- C8H9N3O
- Molecular weight
- 163.18
Names & synonyms
938-56-71H-Benzotriazole-1-ethanolDTXSID80239659NSC 20757RefChem:79737DTXCID801621502-(1H-benzo[d][1,2,3]triazol-1-yl)ethanol2-(benzotriazol-1-yl)ethanol2-(1H-1,2,3-benzotriazol-1-yl)ethan-1-olMFCD009571732-(1h-Benzo[d][1,2,3]triazol-1-yl)ethan-1-olNSC20757
Show more names
2-(1H-benzotriazol-1-yl)ethanol
SCHEMBL2936169SCHEMBL6181203SCHEMBL76724652-(benzotriazol-1-yl) ethan-1-olAB6126NSC-20757CS-0270447EN300-6750117
Database identifiers
- CAS
938-56-7- PubChem CID
- 70313
- DTXSID
DTXSID80239659- Nikkaji
- J1.603.740K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
LogP0.5
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 362.4 · 362.4±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 14.25 · 14.25±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- 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
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers4 total
Fluorochem Ltd[email protected]
A.J Chemicals[email protected]
ASTATECH[email protected]
COMBI-BLOCKS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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