Basic information
- CAS
6041-23-2- Standard SMILES
COC(=NC#N)c1ccccc1- InChIKey
HUJTXVINLQYRNH-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- Methyl N-cyanobenzenecarboximidate
- IUPAC
- methyl N-cyanobenzenecarboximidate
- English name
- N-Cyanobenzimidic methyl ester
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
6041-23-2methyl N-cyanobenzenecarboximidateRefChem:356770Methyl N-cyanobenzimidateEINECS 227-927-5Benzenecarboximidic acid, N-cyano-, methyl esterMethylN-cyanobenzimidateAI3-61761(Z)-methyl N-cyanobenzimidateSCHEMBL3455076SCHEMBL3455077HUJTXVINLQYRNH-LUAWRHEFSA-N
Show more names
BenzenecarboxiMidic acid1g 5g 10gMethyl-N-cyan-benzimidatHUJTXVINLQYRNH-PKNBQFBNSA-NN-Cyanobenzimidic methyl estermethyl N-cyanobenzenecarboximidoateN-cyano-benzimidic acid methyl esterN-Cyanobenzenecarbimidic acid methyl ester
DTXSID001297036AKOS006277553SB75905NS00045431
Database identifiers
- CAS
6041-23-2- PubChem CID
- 111139
- DTXSID
DTXSID001297036- EC Number
- 227-927-5
- Nikkaji
- J227.247D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 115 · 115-125 °C(Press: 0.3 Torr)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- -4.14 · -4.14±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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