Basic information
- CAS
175968-61-3- Standard SMILES
O=Cc1ccc(OCc2ccccc2)c(F)c1- InChIKey
UHPCUBUGXLMORP-UHFFFAOYSA-N- Molecular formula
- C14H11FO2
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.07430781
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3-fluorobenzaldehyde
- IUPAC
- 3-fluoro-4-phenylmethoxybenzaldehyde
- English name
- 4-(benzyloxy)-3-fluorobenzaldehyde
- Molecular formula
- C14H11FO2
- Molecular weight
- 230.23
Names & synonyms
175968-61-34-(BENZYLOXY)-3-FLUOROBENZALDEHYDE4-benzyloxy-3-fluorobenzaldehyde3-fluoro-4-phenylmethoxybenzaldehyde4-Benzyloxy-3-fluoro-benzaldehydeBenzaldehyde, 3-fluoro-4-(phenylmethoxy)-MFCD11156437DTXSID70621029AKOS000260398AS-356373-Fluoro-4-[(phenylmethyl)oxy]benzaldehyde4-benzyloxy-3-fluorobenzaldehyde, AldrichCPR
Show more names
SCHEMBL1463088SCHEMBL20607864SCHEMBL31019272UHPCUBUGXLMORP-UHFFFAOYSA-NDB-090456CS-0156200F301291
Database identifiers
- CAS
175968-61-3- PubChem CID
- 21976898
- DTXSID
DTXSID70621029
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 94 · 94-95 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
- Boiling point
- 371.5 · 371.5±27.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- InChI
- 1S/C14H11FO2/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChIKey
- UHPCUBUGXLMORP-UHFFFAOYSA-N
- SMILES
- Fc1cc(C=O)ccc1OCc2ccccc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers37 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
西安拓超生物科技有限公司02988764766 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海进取者生物医药科技有限公司1 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海珅桔化工有限公司13167128868 13248068001 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
11 records
Compound notes
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