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Basic information
- CAS
53774-07-5- Standard SMILES
O=C(O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
IUSYSZLVZMUVDO-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2NO5
- Average molar mass
- 328.1 g/mol
- Monoisotopic mass
- 326.9701277
Names & identifiers
- Preferred name
- Bifenox acid
- IUPAC
- 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid
- English name
- BIFENOX (FREE ACID)
- Molecular formula
- C13H7Cl2NO5
- Molecular weight
- 328.1
Names & synonyms
Bifenox acid53774-07-55-(2,4-Dichlorophenoxy)-2-nitrobenzoic acidBenzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro-U3AM6X5NBZDTXSID9073547RefChem:1079845DTXCID1041502BIFENOX (FREE ACID)MCTR 172-78MC 4875bifenox TP
Show more names
mc4875bifenoxacidBazedoxifene Impurity 165-(2,4-dichlorophenoxy)-2-nitrobenzoicacid5-(2,4-dichlorophenoxy)-2-nitro-benzoicaci
Bifenox free acidUNII-U3AM6X5NBZLS 825055 Bifenox acidSCHEMBL2730973IUSYSZLVZMUVDO-UHFFFAOYSA-NMSK22513AKOS008963513NS00006987
Database identifiers
- CAS
53774-07-5- PubChem CID
- 148653
- DTXSID
DTXSID9073547- UNII
- U3AM6X5NBZ
- Nikkaji
- J492.579C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 457.4 · 457.4±45.0 °C(Predicted)
- Density
- 1.575 · 1.575±0.06 g/cm3(Predicted)
- pka
- 1.93 · 1.93±0.25(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 AM6X5NBZ · U3AM6X5NBZ
- EPA Substance Registry System
- 5 · Benzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro- (53774-07-5)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
1 records
Compound notes
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