1,2-Bis(6-methyl-2-pyridyl)ethanediol
Basic information
- CAS
6630-20-2- Standard SMILES
Cc1cccc(C(O)C(O)c2cccc(C)n2)n1- InChIKey
BQACYHPDFUQUCV-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 1,2-Bis(6-methyl-2-pyridyl)ethanediol
- IUPAC
- 1,2-bis(6-methyl-2-pyridinyl)ethane-1,2-diol
- English name
- 1,2-bis(6-methyl-2-pyridyl)ethanediol
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
EINECS 229-621-7NSC 600341,2-Bis(6-methyl-2-pyridyl)ethanediolRefChem:411380229-621-76630-20-2MLS0026932681,2-Ethanediol, 1,2-bis(6-methylpyridyl)-1,2-bis(6-methylpyridin-2-yl)ethane-1,2-diolNSC600341,2-diolCHEMBL1887098
Show more names
1,2-Bis(6-methyl-2-pyridyl)-1,2-ethanediol1,2-Ethanediol, 1,2-bis(6-methyl-2-pyridinyl)-
SCHEMBL14577729DTXSID00984856BQACYHPDFUQUCV-UHFFFAOYSA-NHMS3080J20NSC-60034AKOS024323784SMR001559227NS00046681
Database identifiers
- CAS
6630-20-2- PubChem CID
- 96212
- DTXSID
DTXSID00984856- ChEMBL
CHEMBL1887098- EC Number
- 229-621-7
- Nikkaji
- J298.021E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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