Basic information
- CAS
157665-46-8- Standard SMILES
CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1F- InChIKey
ISOZHNCXGVENLC-UHFFFAOYSA-N- Molecular formula
- C11H12FNO4
- Average molar mass
- 241.22 g/mol
- Monoisotopic mass
- 241.07503608
Names & identifiers
- Preferred name
- Tert-butyl 2-fluoro-4-nitrobenzoate
- IUPAC
- tert-butyl 2-fluoro-4-nitrobenzoate
- English name
- tert-Butyl 2-fluoro-4-nitrobenzoate
- Molecular formula
- C11H12FNO4
- Molecular weight
- 241.22
Names & synonyms
157665-46-8TERT-BUTYL 2-FLUORO-4-NITROBENZOATEDTXSID20437238RefChem:383220DTXCID503880622-Fluoro-4-nitrobenzoic acid t-butyl esterMFCD030953432-FLUORO-4-NITRO-BENZOIC ACID TERT-BUTYL ESTERBenzoic acid, 2-fluoro-4-nitro-, 1,1-dimethylethyl esterTert-butyl 2-fluoro-4-nitro-benzoateAB1289SCHEMBL3758268
Show more names
3-tert-butyl-2-fluoro-4-nitrobenzoate
SCHEMBL31560140ISOZHNCXGVENLC-UHFFFAOYSA-Ntert-Butyl2-fluoro-4-nitrobenzoateAKOS013218399Tert-Butyl-2-Fluoro-4-nitro-benzoateSB33941SY258579T-BUTYL-2-FLUORO-4-NITRO-BENZOATE
Database identifiers
- CAS
157665-46-8- PubChem CID
- 10243388
- DTXSID
DTXSID20437238
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 337.9 · 337.9±32.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
8 records
Compound notes
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