Basic information
- CAS
72216-35-4- Standard SMILES
Fc1cccc(OCc2ccccc2)c1- InChIKey
DIQOSFBOCFVINE-UHFFFAOYSA-N- Molecular formula
- C13H11FO
- Average molar mass
- 202.22 g/mol
- Monoisotopic mass
- 202.07939319
Names & identifiers
- Preferred name
- 1-(Benzyloxy)-3-fluorobenzene
- IUPAC
- 1-fluoro-3-phenylmethoxybenzene
- English name
- 3-Fluorobenzyloxybenzene
- Molecular formula
- C13H11FO
- Molecular weight
- 202.22
Names & synonyms
72216-35-41-(benzyloxy)-3-fluorobenzeneDTXSID10469700RefChem:226122DTXCID104205181-BENZYLOXY-3-FLUOROBENZENE1-fluoro-3-phenylmethoxybenzene3-(Benzyloxy)fluorobenzene1-Benzyloxy-3-fluoro-benzeneMFCD064099831-(Benzyloxy)-3-fluorobenzene;3-Fluorobenzyloxybenzene2-benzyloxy-4-fluorobenzene
Show more names
3-Fluorobenzyloxybenzene3-Benzyloxy-1-fluorobenzene3-FLUOROPHENOL BENZYL ETHER3-FLUOROBENZYLOXYBENZENE 99%3-Fluoro-1-(benzyloxy)benzene3-(Benzyloxy)fluorobenzene98%3-(Benzyloxy)fluorobenzene 98%
SCHEMBL669237SCHEMBL920621SCHEMBL4316231SCHEMBL6420707SCHEMBL10743886SCHEMBL17260899DIQOSFBOCFVINE-UHFFFAOYSA-N3-fluoro-1-(phenylmethoxy)benzene
Database identifiers
- CAS
72216-35-4- PubChem CID
- 11629801
- DTXSID
DTXSID10469700- Nikkaji
- J2.300.082B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 32 · 32-34°C
- Boiling point
- 185 °C · 185°C
- Density
- 1.134 · 1.134±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Flash point
- 68 °C · 68°C
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 72216 · 72216-35-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2909309090 · 2909309090
Safety & regulation
Safety data
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
天津安浩生物科技有限公司[email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
7 records
Compound notes
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