2-Chloro-6-fluorobenzonitrile (HCID 69587)

Names & identifiers

Preferred name: 2-Chloro-6-fluorobenzonitrile
IUPAC: 2-chloro-6-fluorobenzonitrile
English name: 2-Fluoro-6-Chlorobenzonitrile
Molecular formula: C7H3ClFN
Molecular weight: 155.56

Names & synonyms

2-Chloro-6-fluorobenzonitrile668-45-1Benzonitrile, 2-chloro-6-fluoro-EINECS 211-571-2DTXSID70216919RefChem:469633DTXCID50139410211-571-22-Fluoro-6-chlorobenzonitrileMFCD000017802-chloro-6-fluoro-benzonitrile2-Chloro-6-fluorobenzonitrile, 98%

Show more names

AKOS BBS-00006480LABOTEST-BB LT001596272-Chlor-6-fluorbenzonitril6-Chloro-2-Fluorobenzonitrile6-Fluoro-2-chlorobenzonitrile2-Chloro-6-fluorobenzonitrile98%

3Q73QG9GNL2-Chloro-6-fluorocyanobenzeneSCHEMBL186023orb3030436SCHEMBL5327680SCHEMBL27986202Fr138662-chloro-6-fluorobenzenecarbonitrile

Database identifiers

CAS: 668-45-1
PubChem CID: 69587
DTXSID: DTXSID70216919
UNII: 3Q73QG9GNL
EC Number: 211-571-2
Nikkaji: J205.966E

Properties

Computed structural properties

XLogP: 2.2
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

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Nitriles

Physical DescriptionCrystalline powder; [MSDSonline]

Physicochemical properties

Melting point: 55 · 55-59 °C(lit.)
Boiling point: 104 °C11 · 104 °C11 mm Hg(lit.)
Density: 1.376 · 1.3760 (estimate)
Flash point: 104 · 104-105°C/11mm
storage temp.: Sealed in dry,Room Temperature
Water Solubility: Insoluble in water
form: powder to crystal
color: White to Light yellow
BRN: 1940332 · 1940332
InChI: InChI=1S/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey: XPTAYRHLHAFUOS-UHFFFAOYSA-N
SMILES: C(#N)C1=C(F)C=CC=C1Cl
CAS DataBase Reference: 668 · 668-45-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335-H302-H311-H332-H301+H311+H331
Precautionary statements: 280 h-P309-P310-P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P261-P280-P305+P351+P338 · P280h-P309-P310-P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,T,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39-36/37/39-36
RIDADR: 3439 · UN 3439 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269095 · 29269095
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzonitrile, 2-chloro-6-fluoro-

Hazards SummaryAn irritant; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3439 6.1/PG 3
hs_code: 29269095
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS06,GHS07
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-37/39-36/37/39-36
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335-H302-H311-H332-H301+H311+H331
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280h-P309-P310-P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses2-Chloro-6-fluorobenzonitrile was used in the synthesis of:rac-2-chloro-6-(oxiran-2-ylmethoxy)benzonitrilehigh-molecular-weight, soluble polyarylether alternating copolymers containing pendent cyano groups

General Description2-Chloro-6-fluorobenzonitrile is an inhibitor of cellulose synthesis.