2,3-Dicyanopyridine

HCID 28302

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Basic information

CAS: 17132-78-4
Standard SMILES: N#Cc1cccnc1C#N
InChIKey: GHFGOVUYCKZOJH-UHFFFAOYSA-N
Molecular formula: C7H3N3
Average molar mass: 129.12 g/mol
Monoisotopic mass: 129.03269711

Names & identifiers

Preferred name: 2,3-Dicyanopyridine
IUPAC: pyridine-2,3-dicarbonitrile
English name: Pyridine-2,3-dicarbonitrile
Molecular formula: C7H3N3
Molecular weight: 129.12

Names & synonyms

17132-78-42,3-DICYANOPYRIDINE2,3-PyridinedicarbonitrileDTXSID00169060RefChem:81623DTXCID1091551GHFGOVUYCKZOJH-UHFFFAOYSA-NPyridine-2,3-dicarbonitrilePyridine-2,3-dicarbonitirleMFCD00191682pyridinedicarbonitrileDICYANOPYRIDINE

Show more names

AKOS 90430Pyridine-2,3-dicarbonitrile>2,3-Pyridinedicarbonitrile(6CI,8CI,9CI)

SCHEMBL18611SCHEMBL29533314SBB055634AKOS000280006MB00858AC-14254BS-44107SY051330

Database identifiers

CAS: 17132-78-4
PubChem CID: 28302
DTXSID: DTXSID00169060
EC Number: 679-683-8
Nikkaji: J100.378J

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 60.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 203

Physicochemical properties

Melting point: 79 °C · 79 °C
Boiling point: 125 °C · 125 °C(Press: 3 Torr)
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -3.77 · -3.77±0.10(Predicted)
color: White to Almost white
InChI: InChI=1S/C7H3N3/c8-4-6-2-1-3-10-7(6)5-9/h1-3H
InChIKey: GHFGOVUYCKZOJH-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC=C1C#N
CAS DataBase Reference: 17132 · 17132-78-4(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3439 · 3439
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2933399990 · 2933399990

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 · 4 items

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, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

ridadr: 3439
hs_code: 2933399990
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405

Chemistry & industry

Upstream & downstream products

Downstream products

2,5-Pyridinedicarbonitrile(6CI,8CI,9CI)

Suppliers52 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

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Compound notes

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