2-Cyanobenzamide
Basic information
- CAS
17174-98-0- Standard SMILES
N#Cc1ccccc1C(N)=O- InChIKey
STQPCKPKAIRSEL-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- 2-Cyanobenzamide
- IUPAC
- 2-cyanobenzamide
- English name
- 2-Cyanobenzamide
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
2-Cyanobenzamide17174-98-0Benzamide, 2-cyano-EINECS 241-224-0NSC 28289BRN 2085900AI3-037604-09-00-03268 (Beilstein Handbook Reference)DTXSID9066170RefChem:86577DTXCID1035494STQPCKPKAIRSEL-UHFFFAOYSA-N
Show more names
o-cyano-benzamid2-cyano-benzamidPHTHALAMIC NITRILETIMTEC-BB SBB0076532-Cyanobenzamide >ORTHO-CYANOBENZAMIDE2-CYANOBENZAMIDE 98+%
o-CyanobenzamideBenzamide, o-cyano-MFCD00014797NSC28289SCHEMBL262368?2-CYANOBENZAMIDE2-Cyanobenzamide, AldrichCPRSCHEMBL1203663
Database identifiers
- CAS
17174-98-0- PubChem CID
- 72883
- DTXSID
DTXSID9066170- EC Number
- 241-224-0
- Nikkaji
- J29.492F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
LogP0.0
Physicochemical properties
- Melting point
- 172 · 172-173°C
- Boiling point
- 265.75 °C · 265.75°C (rough estimate)
- Density
- 1.2312 · 1.2312 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 15.23 · 15.23±0.50(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 17174 · 17174-98-0(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzamide, 2-cyano- (17174-98-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- CV2483500
- ridadr
- 3276
- hs_code
- 2926.90.4801
- risk_code
- 20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39-26
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 2-cyano-: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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