1-Cyano-4-fluoronaphthalene

HCID 2736734CAS 13916-99-9
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(F)c2ccccc12
InChIKey
XQSGYYNFKIQWAC-UHFFFAOYSA-N
Molecular formula
C11H6FN
Average molar mass
171.17 g/mol
Monoisotopic mass
171.04842741

Names & identifiers

Preferred name
1-Cyano-4-fluoronaphthalene
IUPAC
4-fluoronaphthalene-1-carbonitrile
English name
1-CYANO-4-FLUORONAPHTHALENE
Molecular formula
C11H6FN
Molecular weight
171.17

Names & synonyms

1-Cyano-4-fluoronaphthalene13916-99-9DTXSID60371561RefChem:229599DTXCID803225954-Fluoro-1-naphthonitrile4-fluoronaphthalene-1-carbonitrileMFCD002366561-Naphthalenecarbonitrile, 4-fluoro-C11H6FN4-fluoro-1-naphthalenecarbonitrile4-fluoronaphthalenecarbonitrile
Show more names
4-Fluoronaphthalene-1-carbonitrile, 97%
4-Fluoronaphthalene-1-carbonitrile, 1-Cyano-4-fluoronaphthalene4-Fluoro-1-naphthonitrile 97%1-cyano-4-fluoronapthalene4-cyano-1-fluoronaphthaleneSCHEMBL1363490BUTTPARK 11\09-58XQSGYYNFKIQWAC-UHFFFAOYSA-N4-Fluoro-naphthalene-1-carbonitrile

Database identifiers

CAS
13916-99-9
PubChem CID
2736734
DTXSID
DTXSID60371561
EC Number
670-852-1

Properties

Computed structural properties

XLogP
3
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
89 · 89-91°C
Boiling point
314.9 · 314.9±15.0 °C(Predicted)
Density
1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
powder
color
Mauve to grey

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (20%)

Safety data

ridadr
3439
hs_code
2926907090
risk_code
20/21/22
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers45 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Related reactions

101 records
New reaction record

Linked notes

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