2,3-Difluorobenzonitrile (HCID 88935)

Names & identifiers

Preferred name: 2,3-Difluorobenzonitrile
IUPAC: 2,3-difluorobenzonitrile
English name: 2,3-Difluorobenzonitrile
Molecular formula: C7H3F2N
Molecular weight: 139.1

Names & synonyms

2,3-Difluorobenzonitrile21524-39-0DTXSID40175862RefChem:81645DTXCID9098353244-418-3Benzonitrile, 2,3-difluoro-MFCD000099762,3-difluorobenzenecarbonitriledifluorobenzonitrile2,3-Difluorobenzonitril2,3-difluoro-benzonitrile

Show more names

BUTTPARK 87\01-742,3-Difluorobenzonit2,3-fluorobenzonitrile,3-Difluorobenzonitrile2,3-Difluorobenzonitrile22,3-Difluorobenzonitrile98%2,3-Difluorobenzonitrile>2,3-Difluorobenzonitrile 98%

SCHEMBL1585371,2-difluoro-3-cyano-benzeneSCHEMBL2649838SCHEMBL2649839SCHEMBL304438472,3-Difluorobenzonitrile, 98%EINECS 244-418-3CL8131

Database identifiers

CAS: 21524-39-0
PubChem CID: 88935
DTXSID: DTXSID40175862
EC Number: 244-418-3
Nikkaji: J149.702B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 189 °C · 189 °C
Density: 1.254 g/mL · 1.254 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4882(lit.)
Flash point: 167 °F · 167 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light orange to Yellow
Specific Gravity: 1.254 · 1.254
BRN: 2085621 · 2085621
InChI: 1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey: GKPHNZYMLJPYJJ-UHFFFAOYSA-N
SMILES: Fc1cccc(C#N)c1F
CAS DataBase Reference: 21524 · 21524-39-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,T,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39-36/37
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)；Acute Tox. 4 (95.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (98%)；Acute Tox. 4 (95.9%)；STOT SE 3 (93.9%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-36/37/39-36/37
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338