3-Cyanopyridine

Modify Date: 2026-06-30 15:17:12

3-Cyanopyridine Structure
3-Cyanopyridine structure
Common Name 3-Cyanopyridine
CAS Number 100-54-9 Molecular Weight 104.109
Density 1.1±0.1 g/cm3 Boiling Point 203.0±13.0 °C at 760 mmHg
Molecular Formula C6H4N2 Melting Point 48-52 °C(lit.)
MSDS Chinese USA Flash Point 84.4±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 3-pyridinecarbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.1±0.1 g/cm3
Boiling Point 203.0±13.0 °C at 760 mmHg
Melting Point 48-52 °C(lit.)
Molecular Formula C6H4N2
Molecular Weight 104.109
Flash Point 84.4±0.0 °C
Exact Mass 104.037445
PSA 36.68000
LogP 0.50
Vapour Pressure 0.3±0.4 mmHg at 25°C
Index of Refraction 1.540
InChIKey GZPHSAQLYPIAIN-UHFFFAOYSA-N
SMILES N#Cc1cccnc1
Stability Incompatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Water Solubility 140 g/L (20 ºC)

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT3030000
CHEMICAL NAME :
Nicotinonitrile
CAS REGISTRY NUMBER :
100-54-9
BEILSTEIN REFERENCE NO. :
0107711
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C6-H4-N2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1185 mg/kg
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - other changes
REFERENCE :
MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 30,109,1979
TYPE OF TEST :
LD25 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
810 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 64,528,1975
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - corneal damage Skin and Appendages - dermatitis, irritative (after systemic exposure)
REFERENCE :
MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 30,109,1979

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R22;R36/37/38
Safety Phrases S22-S24/25-S36/37/39-S26
RIDADR 1325.0
WGK Germany 3
RTECS QT3030000
Packaging Group I; II; III
Hazard Class 6.1
HS Code 2933399010

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles23

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Akt-mediated regulation of antidepressant-sensitive serotonin transporter function, cell-surface expression and phosphorylation.

Biochem. J. 468 , 177-90, (2015)

The serotonin [5-HT (5-hydroxytryptamine)] transporter (SERT) controls serotonergic neurotransmission in the brain by rapid clearance of 5-HT from the synaptic cleft into presynaptic neurons. SERTs ar...

Self-assembled hybrid metal oxide base catalysts prepared by simply mixing with organic modifiers.

Nat. Commun. 6 , 8580, (2015)

Multidentate materials formed by simply mixing heterogeneous and homogeneous components are promising for construction of versatile active sites on the surface of heterogeneous compounds, however, to ...

The WNT/β-Catenin Pathway Is a Transcriptional Regulator of CYP2E1, CYP1A2, and Aryl Hydrocarbon Receptor Gene Expression in Primary Human Hepatocytes.

Mol. Pharmacol. 86(6) , 624-34, (2014)

The wingless-type MMTV integration site family (WNT)/β-catenin/adenomatous polyposis coli (CTNNB1/APC) pathway has been identified as a regulator of drug-metabolizing enzymes in the rodent liver. Conv...

 3-CyanopyridineBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

pyridine-3-carbonitrile
EINECS 202-863-0
3-Cyanopyridine
MFCD00006372
3-Pyridinecarbonitrile
Nicotinonitrile
3-Pyridinenitrile

 3-Cyanopyridine | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of 3-pyridinecarbonitrile?
A: Molecular formula of 3-pyridinecarbonitrile is C6H4N2.
Q: What is the melting point of 3-pyridinecarbonitrile?
A: Melting point of 3-pyridinecarbonitrile is 48-52 °C(lit.).
Q: What is the SMILES notation of 3-pyridinecarbonitrile?
A: SMILES notation of 3-pyridinecarbonitrile is N#Cc1cccnc1.
Q: What English synonyms does 3-pyridinecarbonitrile have?
A: English synonyms of 3-pyridinecarbonitrile: pyridine-3-carbonitrile, EINECS 202-863-0, 3-Cyanopyridine, MFCD00006372, 3-Pyridinecarbonitrile, Nicotinonitrile, 3-Pyridinenitrile.
Q: What is the molecular weight of 3-pyridinecarbonitrile?
A: Molecular weight of 3-pyridinecarbonitrile is 104.109.
Q: What is the LogP of 3-pyridinecarbonitrile?
A: LogP of 3-pyridinecarbonitrile is 0.50.
Q: What are the downstream products of 3-pyridinecarbonitrile?
A: Related downstream products(CAS) of 3-pyridinecarbonitrile: 110684-29-2;105192-41-4;106881-77-0;3731-52-0;1656-94-6;91192-30-2;41051-03-0;97316-55-7;110911-10-9;110911-12-1.
Q: What is the boiling point of 3-pyridinecarbonitrile?
A: Boiling point of 3-pyridinecarbonitrile is 203.0±13.0 °C at 760 mmHg.
Q: What is the safety information for 3-pyridinecarbonitrile?
A: Safety information for 3-pyridinecarbonitrile: S22-S24/25-S36/37/39-S26.
Q: What is the InChIKey of 3-pyridinecarbonitrile?
A: InChIKey of 3-pyridinecarbonitrile is GZPHSAQLYPIAIN-UHFFFAOYSA-N.

 3-Cyanopyridinefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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