Basic information
- CAS
107572-07-6- Standard SMILES
O=Cc1ccccc1Sc1ccc(Cl)cc1- InChIKey
CQKLAEUCMKGSEQ-UHFFFAOYSA-N- Molecular formula
- C13H9ClOS
- Average molar mass
- 248.73 g/mol
- Monoisotopic mass
- 248.00626359
Names & identifiers
- Preferred name
- 2-(4-Chlorophenylthio)Benzaldehyde
- IUPAC
- 2-(4-chlorophenyl)sulfanylbenzaldehyde
- English name
- 2-(4-CHLOROPHENYLTHIO)BENZALDEHYDE
- Molecular formula
- C13H9ClOS
- Molecular weight
- 248.73
Names & synonyms
2-(4-Chlorophenylthio)Benzaldehyde107572-07-6DTXSID10381034RefChem:252277DTXCID40332059CQKLAEUCMKGSEQ-UHFFFAOYSA-N2-((4-chlorophenyl)thio)benzaldehyde2-[(4-chlorophenyl)sulfanyl]benzaldehyde2-(4-chlorophenyl)sulfanylbenzaldehyde2-[(4-Chlorophenyl)thio]benzaldehydeMFCD00051766SCHEMBL2271692
Show more names
BUTTPARK 94\04-34o-(p-Chlorophenylthio)benzaldehydeBenzaldehyde, 2-[(4-chlorophenyl)thio]-2-[(4-Chlorophenyl)sulphanyl]benzaldehyde2-[(4-Chlorophenyl)thio]benzaldehyde 95+%2-(4-Chlorophenylthio)benzaldehyde for synthesis
BBL022966SBB061870STL353615AKOS000113309SB85382FC170043PS-111592-(4-Chlorophenylthio)benzaldehyde, 98%
Database identifiers
- CAS
107572-07-6- PubChem CID
- 2778624
- DTXSID
DTXSID10381034- Nikkaji
- J134.867A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 71 · 71-74°C
- Boiling point
- 102 · 102-104°C 14mm
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- Flash point
- 102 · 102-104°C/14mm
- storage temp.
- 20 °C · Store at <= 20°C.
- form
- solid
- Sensitive
- Air Sensitive
- BRN
- 5810711 · 5810711
- InChI
- 1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
- InChIKey
- CQKLAEUCMKGSEQ-UHFFFAOYSA-N
- CAS DataBase Reference
- 107572 · 107572-07-6(CAS DataBase Reference)
- UNSPSC Code
- 12352114 · 12352114
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
Safety & regulation
Safety data
- wgk
- WGK 3 highly water endangering
- hs_code
- 2930 90 98
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers20 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
5 records
Compound notes
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