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3-[(4-Chlorobenzyl)oxy]benzaldehyde

HCID 693301
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
24550-39-8
Standard SMILES
O=Cc1cccc(OCc2ccc(Cl)cc2)c1
InChIKey
SBIKVRRNAVDMQC-UHFFFAOYSA-N
Molecular formula
C14H11ClO2
Average molar mass
246.69 g/mol
Monoisotopic mass
246.0447573

Names & identifiers

Preferred name
3-[(4-Chlorobenzyl)oxy]benzaldehyde
IUPAC
3-[(4-chlorophenyl)methoxy]benzaldehyde
English name
3-[(4-CHLOROBENZYL)OXY]BENZALDEHYDE
Molecular formula
C14H11ClO2
Molecular weight
246.69

Names & synonyms

3-[(4-chlorobenzyl)oxy]benzaldehyde24550-39-83-((4-Chlorobenzyl)oxy)benzaldehydeDTXSID70351213RefChem:272966DTXCID70302280660-831-53-[(4-chlorophenyl)methoxy]benzaldehydeMFCD01155938Benzaldehyde, 3-[(4-chlorophenyl)methoxy]-ASISCHEM N47690AURORA 23256
Show more names
OTAVA-BB BB71109525843-[(4-chlorobenzyl)oxy]benzaldehyde(SALTDATA: FREE)
SCHEMBL8985612SCHEMBL308214393-(4-chlorobenzyloxy)benzaldehydeAKOS B014165ZERENEX E/4047999ART-CHEM-BB B014165CHEMBRDG-BB 30141653-(4-chlorobenzyloxy)-benzaldehyde

Database identifiers

CAS
24550-39-8
PubChem CID
693301
DTXSID
DTXSID70351213
EC Number
660-831-5

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
236

Physicochemical properties

Melting point
50 °C · 50 °C(Solv: ethanol (64-17-5))
Boiling point
248 °C · 248 °C(Press: 18 Torr)
Density
1.247 · 1.247±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
317 · H317-H400
Precautionary statements
273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard Codes
Xi
HazardClass
IRRITANT

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 · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07,GHS09
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H317-H400
Precautionary statements
P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Suppliers16 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海超岚化工科技中心(原宁波市超明生物科技有限公司)13301662590 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司

Related reactions

4 records
New reaction record
HRID 298890 reaction equation
HRID 298890As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1079102 reaction equation
HRID 1079102As productuspto-grants-1996_08
HRID 1079104 reaction equation
HRID 1079104As reactantuspto-grants-1996_08
HRID 1200492 reaction equation
HRID 1200492As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
19903117510 19903117580 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]