1,2-Benzenedicarbonitrile, 4-amino-
Basic information
- CAS
56765-79-8- Standard SMILES
N#Cc1ccc(N)cc1C#N- InChIKey
RRCAJFYQXKPXOJ-UHFFFAOYSA-N- Molecular formula
- C8H5N3
- Average molar mass
- 143.15 g/mol
- Monoisotopic mass
- 143.04834717
Names & identifiers
- Preferred name
- 1,2-Benzenedicarbonitrile, 4-amino-
- IUPAC
- 4-aminobenzene-1,2-dicarbonitrile
- English name
- 4-Aminophthalonitrile
- Molecular formula
- C8H5N3
- Molecular weight
- 143.15
Names & synonyms
56765-79-83,4-Dicyanoaniline1,2-Benzenedicarbonitrile, 4-amino-4-Amino-1,2-benzenedicarbonitrileEINECS 260-370-6DTXSID0069127NSC 309814RefChem:411089DTXCID5042114260-370-6InChI=1/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H4-Aminophthalonitrile
Show more names
3,4-Dicyanoanline4-AMINOPHTALONITRILE3,4-Dicyanoaniline,>98%4-Aminophthalonitrile,97%4-Aminophthalonitrile >4-AMinophthalonitrile, 97% 5GR4-amino-2-benzenedicarbonitrile
4-aminobenzene-1,2-dicarbonitrileMFCD000417414-Amino-phthalonitril3,4-Dicyano Aniline4-amino-phthalonitrile4-Aminophthalonitrile, 98%SCHEMBL204121SCHEMBL11515572
Database identifiers
- CAS
56765-79-8- PubChem CID
- 92529
- DTXSID
DTXSID0069127- EC Number
- 260-370-6
- Nikkaji
- J254.869K
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- Melting point
- 179 · 179-181 °C(lit.)
- Boiling point
- 251.23 °C · 251.23°C (rough estimate)
- Density
- 1.2597 · 1.2597 (rough estimate)
- vapor pressure
- 0.017 Pa · 0.017Pa at 25℃
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- Crystalline Powder
- pka
- -0.09 · -0.09±0.10(Predicted)
- color
- Orange
- Water Solubility
- Insoluble
- BRN
- 2937382 · 2937382
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2
- InChIKey
- RRCAJFYQXKPXOJ-UHFFFAOYSA-N
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3,4-dicyanoaniline (EC: 260-370-6)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3439
- hs_code
- 29269090
- risk_code
- 24/25-36/37/38-25-24
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- T,Xi
- safety_code
- 45-36/37-28A-22-36-26
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarbonitrile, 4-amino-: INACTIVE
Applications
Usesdiagnostic assay manufacturinghematologyhistology
Related reactions
27 records
Compound notes
Loading…