Basic information
- CAS
834913-94-9- Standard SMILES
COc1ccc(C=O)cc1COc1ccc(Cl)c(C)c1- InChIKey
RPEKEFDWEPTYRE-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- 3-[(4-Chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde
- IUPAC
- 3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde
- English name
- 3-(4-Chloro-3-methyl-phenoxymethyl)-4-methoxy-benzaldehyde
- Molecular formula
- C16H15ClO3
- Molecular weight
- 290.74
Names & synonyms
3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde834913-94-93-((4-Chloro-3-methylphenoxy)methyl)-4-methoxybenzaldehydeMFCD011149433-(4-Chloro-3-methyl-phenoxymethyl)-4-methoxy-benzaldehyde3-(((4-chloro-3-methylphenyl)oxy)methyl)-4-(methyloxy)benzaldehydeDTXSID201191509ALBB-001136BBL036423SBB017343STK298874AKOS000304173
Show more names
ZINC00335395AKOS B001180ART-CHEM-BB B001180Benzaldehyde, 3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxy-
ST078309VS-13479CS-0240326EN300-227849H21278AK-968/37166307Z4248161263-[(4-chloro-3-methyl-phenoxy)methyl]-4-methoxy-benzaldehyde
Database identifiers
- CAS
834913-94-9- PubChem CID
- 819620
- DTXSID
DTXSID201191509
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 439.6 · 439.6±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C16H15ClO3/c1-11-7-14(4-5-15(11)17)20-10-13-8-12(9-18)3-6-16(13)19-2/h3-9H,10H2,1-2H3
- InChIKey
- RPEKEFDWEPTYRE-UHFFFAOYSA-N
- SMILES
- O=CC1=CC(COC2=CC(C)=C(Cl)C=C2)=C(OC)C=C1
- UNSPSC Code
- 12352200 · 12352200
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司18455579438
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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