Basic information
- Standard SMILES
O=Cc1cccc(OCc2ccccc2)c1- InChIKey
JAICGBJIBWDEIZ-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxybenzaldehyde
- IUPAC
- 3-phenylmethoxybenzaldehyde
- English name
- 3-Benzyloxybenzaldehyde-α-D1
- Molecular formula
- C14H12O2
- Molecular weight
- 212.25
Names & synonyms
3-Benzyloxybenzaldehyde1700-37-4Benzaldehyde, 3-(phenylmethoxy)-m-BenzyloxybenzaldehydeBenzaldehyde, m-(benzyloxy)-K1S6OB2GNNNSC-17152EINECS 216-932-8UNII-K1S6OB2GNNBenzyl 3-formylphenyl etherDTXSID30168783NSC 17152
Show more names
3-Benzyloxybenzaldehyde-α-d1
RefChem:93076DTXCID5091274216-932-8JAICGBJIBWDEIZ-UHFFFAOYSA-N3-(benzyloxy)benzaldehyde3-phenylmethoxybenzaldehydeMFCD000033673-(phenylmethoxy)benzaldehyde
Database identifiers
- CAS
1219805-34-1- ChEMBL
CHEMBL300575- UNII
- K1S6OB2GNN
- EC Number
- 216-932-8
- Nikkaji
- J203.087J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Safety & regulation
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
Uses3-Benzyloxybenzaldehyde-alpha-d1 (CAS# 1219805-34-1) is a useful isotopically labeled research compound.
Suppliers4 total
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海葑菲医药科技有限公司+8618221552033 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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