3-Chloro-5-fluorobenzonitrile

HCID 2734841

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Basic information

CAS: 327056-73-5
Standard SMILES: N#Cc1cc(F)cc(Cl)c1
InChIKey: GIKLRWNRBOLRDV-UHFFFAOYSA-N
Molecular formula: C7H3ClFN
Average molar mass: 155.55 g/mol
Monoisotopic mass: 154.993805

Names & identifiers

Preferred name: 3-Chloro-5-fluorobenzonitrile
IUPAC: 3-chloro-5-fluorobenzonitrile
English name: 3-Chloro-5-fluorobenzonitrile
Molecular formula: C7H3ClFN
Molecular weight: 155.56

Names & synonyms

3-Chloro-5-fluorobenzonitrile327056-73-5DTXSID80370531RefChem:278395DTXCID60321566627-695-9MFCD03407967Benzonitrile, 3-chloro-5-fluoro-3-chloro-5-fluoro-benzonitrileSCHEMBL5461363-Chloro-5-fluorobenzonitrile, 97%CL8190

Show more names

CAS:327056-73-5BUTTPARK 45\01-07SALOR-INT L301019-1EA3-chloro-5-fluorobenzenenitrile3-chloro-5-fluorophenyl nitrile3-Chloro-5-fluorobenzonitrile 97%3-Chloro-5-fluorobenzonitrile,98%

AKOS005255734CS-W010923AC-4045DS-1194PS-8861SY0208413-chloro-5-fluoro benzonitrile5-Fluor

Database identifiers

CAS: 327056-73-5
PubChem CID: 2734841
DTXSID: DTXSID80370531
EC Number: 627-695-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 54 · 54-59 °C(lit.)
Boiling point: 195 · 195.0±20.0 °C(Predicted)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
Flash point: 192 °F · 192 °F
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
color: Slightly yellow
InChI: 1S/C7H3ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey: GIKLRWNRBOLRDV-UHFFFAOYSA-N
SMILES: Fc1cc(Cl)cc(c1)C#N
CAS DataBase Reference: 327056 · 327056-73-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 319 · H319-H302-H312-H315-H331
Precautionary statements: 305 · P305+P351+P338-P261-P280-P304+P340-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn,T
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 22 · 22-24/25-36/37/39-26
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: 6.1 · 6.1
HS Code: 29269090 · 29269090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.