Basic information
- CAS
58632-96-5- Standard SMILES
N#Cc1cccc(N)c1C#N- InChIKey
IHCNWWQQHZNTSG-UHFFFAOYSA-N- Molecular formula
- C8H5N3
- Average molar mass
- 143.15 g/mol
- Monoisotopic mass
- 143.04834717
Names & identifiers
- Preferred name
- 3-Aminophthalonitrile
- IUPAC
- 3-aminobenzene-1,2-dicarbonitrile
- English name
- 3-aMinophthalonitrile
- Molecular formula
- C8H5N3
- Molecular weight
- 143.15
Names & synonyms
3-Aminophthalonitrile58632-96-53-aminobenzene-1,2-dicarbonitrile3-Amino-1,2-benzenedicarbonitrileMFCD19203627aminophthalonitrile3-Aminopthalonitrile1,2-Benzenedicarbonitrile, 3-amino-SCHEMBL1702636DTXSID10343278IHCNWWQQHZNTSG-UHFFFAOYSA-NDK7559
Show more names
AKOS006337810F88086F922942
Database identifiers
- CAS
58632-96-5- PubChem CID
- 588679
- DTXSID
DTXSID10343278- Nikkaji
- J2.327.522H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 408.4 · 408.4±35.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0 · 0.00±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
格林斯柏生物科技（江苏）有限公司0523-87726088 13705266400 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
宁波保税区菲立化学有限公司+86 (576) 8169-6106 · [email protected]
亚化进出口（江苏）有限公司+8615105181882 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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