Formanilide - ≥99% , CAS No.103-70-8

CAS: 103-70-8 Cat. No.: F112354 Molecular Weight: 121.14 Beilstein Registry Number: 12230 EC Number: 203-136-0

GRADE & PURITY ≥99%

Synonyms

DTXSID3025338 | CAS-103-70-8 | N-Formylaniline | N-Formyl-aniline | SCHEMBL2463 | AI3-01089 | MLS002415732 | Q2689660 | Tox21_200271 | BIDD:GT0244 | F0047 | NCGC00091354-01 | SMR001370900 | FT-0626529 | N-Formanilide | formanilid | Formanilide | FORMANILI

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID3025338 | CAS-103-70-8 | N-Formylaniline | N-Formyl-aniline | SCHEMBL2463 | AI3-01089 | MLS002415732 | Q2689660 | Tox21_200271 | BIDD:GT0244 | F0047 | NCGC00091354-01 | SMR001370900 | FT-0626529 | N-Formanilide | formanilid | Formanilide | FORMANILI

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180521
• Canonical Smiles: C1=CC=C(C=C1)NC=O
• IUPAC Name: N-phenylformamide
• InChIKey: DYDNPESBYVVLBO-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
• Isomeric SMILES: C1=CC=C(C=C1)NC=O
• WGK Germany: 2
• RTECS: BY1780000
• Molecular Weight: 121.14
• Beilstein: 12230
• Reaxy-Rn: 906934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: formamides - aromatic amide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.578
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 271°C
• Melt Point(°C): 46-48°C
• Molecular Weight: 121.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Congcong Chen, Zhiqiang Xu, Jiemin Qiu, Weihao Ye, Xiaokai Xu, Ruizhe Wang, Chaofan Hu, Jianle Zhuang, Bingfu Lei, Wei Li, Xuejie Zhang, Guangqi Hu, Yingliang Liu.  (2022)  Synthesis of Carbon Dots with Carbogenic π-Conjugated Domains for Full-Band UV Shielding.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.2c01444]

2. Xiaomeng Deng, Wensheng Wei, Zizhen Yan, Zhanguo Zhang, Yuxin Wang, Guangwen Xu, Jianjun Guo, Jinggang Zhao, Lei Shi.  (2024)  Product as additive for facilitating CO2 conversion into cyclic carbonate.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2024.102850]

3. Lu Ji, Fang Li, Xiaoshu Ding, Dongsheng Zhang, Xinqiang Zhao, Yanji Wang.  (2026)  A Novel Catalyst and the Catalytic Mechanism for Aqueous-Phase Reforming of Methanol Coupling with Nitrobenzene Hydrogenation to Aniline.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c04511]