Basic information
- CAS
1417456-04-2- Standard SMILES
Nc1cccc(F)c1C(=O)Nc1ccccc1- InChIKey
UZOTUSBWWZAVQD-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.08554114
Names & identifiers
- Preferred name
- 2-amino-6-fluoro-N-phenylbenzamide
- IUPAC
- 2-amino-6-fluoro-N-phenylbenzamide
- English name
- 2-aMino-6-fluoro-N-phenylbenzaMide hydrochloride
- Molecular formula
- C13H11FN2O
- Molecular weight
- 230.24
Names & synonyms
2-amino-6-fluoro-N-phenylbenzamide1417456-04-2RefChem:85311807-759-4Benzamide, 2-amino-6-fluoro-N-phenyl-Idelalisib Impurity 2SCHEMBL16346420DTXSID601298406AC-30095DB-1165852-Fluoro-6-amino-N-phenylbenzamide2-Amno-6-fluoro-N-phenylbenzamide hydrochloride
Show more names
2-aMino-6-fluoro-N-phenylbenzaMide hydrochloride
Database identifiers
- CAS
1417456-04-2- PubChem CID
- 91827872
- DTXSID
DTXSID601298406- EC Number
- 807-759-4
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 320.8 · 320.8±32.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 12.37 · 12.37±0.70(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H315-H318-H411
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P332+P313-P391-P501
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: 2-amino-6-fluoro-N-phenylbenzamide (EC: 807-759-4)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H302+H312-H315-H318-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P332+P313-P391-P501
Chemistry & industry
Applications
Uses2-Amino-6-fluoro-N-phenylbenzamide is used as reactant/reagent in synthetic preparation of idelalisib using the HMDS/I2-catalyzed cyclocondensation and Boc deprotection of an (aminobutyrylamino)benzamide to a nonracemic quinazoline as the key step. 2-Amino-6-fluoro-N-phenyl-benzamide is obtained from 2-fluoro-6-nitro-benzoic acid.
Suppliers44 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
奥浦顿（上海）医药科技有限公司021-60753308-14013
上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Beijing Toachem Chemical Co.,Ltd+86-18612533579 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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