Basic information
- CAS
328973-78-0- Standard SMILES
N#CCn1cc(C=O)c2ccccc21- InChIKey
XTRQLVIHXWZSEJ-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- (3-formyl-1H-indol-1-yl)acetonitrile
- IUPAC
- 2-(3-formylindol-1-yl)acetonitrile
- English name
- (3-FORMYL-1H-INDOL-1-YL)ACETONITRILE
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
328973-78-0(3-formyl-1H-indol-1-yl)acetonitrile2-(3-formyl-1H-indol-1-yl)acetonitrile2-(3-formylindol-1-yl)acetonitrileMFCD01785676(3-formyl-1H-indol-1-yl)methyl cyanideSCHEMBL292773852-(3-formylindolyl)ethanenitrileDTXSID00354318STK365098AKOS000289140DB-068712
Show more names
3-ForMyl-1-indoleacetonitrile, 97%1H-Indole-1-acetonitrile, 3-formyl-2-(3-formyl-1H-indole-1-yl)acetonitrile
CS-0246934ST50267842G84614EN300-3480569Z57627123
Database identifiers
- CAS
328973-78-0- PubChem CID
- 768640
- DTXSID
DTXSID00354318
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 407.7 · 407.7±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 328973 · 328973-78-0
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- safety_code
- 26
Chemistry & industry
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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