CAS 59025-55-7 2,4-Difluorophenyl isocyanate (HCID 593258)

Names & identifiers

Preferred name: 2,4-Difluorophenyl isocyanate
IUPAC: 2,4-difluoro-1-isocyanatobenzene
English name: 2,4-Difluorophenyl isocyanate
Molecular formula: C7H3F2NO
Molecular weight: 155.1

Names & synonyms

2,4-Difluorophenyl isocyanate59025-55-7Benzene, 2,4-difluoro-1-isocyanato-DTXSID40343928RefChem:82428DTXCID90295004628-125-1HNENEALJPWJWJY-UHFFFAOYSA-N2,4-Difluoro-1-isocyanatobenzene2,4-Difluorophenylisocyanate2,4-difluoro-1-isocyanato-benzeneMFCD00001997

Show more names

2,4-DifLSBB00653736952_FLUKAZINC00164769250759_ALDRICHTIMTEC-BB SBB0065372,4-Difluorophenyl iDifluorophenyl isocyanatDIFLUOROPHENYLISO-CYANATE2,4-Diflurophenyl isocyanate

Isocyanic Acid 2,4-Difluorophenyl EsterSCHEMBL765962,4-difluoro phenyl isocyanate2,4-difluoro-1-isocyanato benzene2,4-DifluBenzene, 2,4-difluoro-1-isocyanato- (9CI)2,4-diflurophenylisocyanate2,4 difluorophenyl isocyanate

Database identifiers

CAS: 59025-55-7
PubChem CID: 593258
DTXSID: DTXSID40343928
EC Number: 628-125-1
Nikkaji: J586.173J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 179

Physicochemical properties

Boiling point: 42 °C/6 · 42 °C/6 mmHg (lit.)
Density: 1.309 g/mL · 1.309 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.490(lit.)
Flash point: 50 °C · 50 °C
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Sensitive: Moisture Sensitive/Lachrymatory
BRN: 2831577 · 2831577
InChI: 1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey: HNENEALJPWJWJY-UHFFFAOYSA-N
SMILES: Fc1ccc(N=C=O)c(F)c1
CAS DataBase Reference: 59025 · 59025-55-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07,GHS08
Signal word: Danger
Hazard statements: 226 · H226-H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements: 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,T,Xi
Risk Statements: 20 · 20/21/22-36/37/38-42-10
Safety Statements: 26 · 26-36/37-45-36/37/39-16
RIDADR: 2478 · UN 2478 3/PG 3
WGK Germany: 3 · 3
F: 10 · 10-19-21
Hazard Note: Toxic/Lachrymatory/Moisture Sensitive
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29291090 · 29291090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 10-19-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2478 3/PG 3
hs_code: 29291090
risk_code: 20/21/22-36/37/38-42-10
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS08
hazard_code: Xn,T,Xi
hazard_note: Toxic/Lachrymatory/Moisture Sensitive
safety_code: 26-36/37-45-36/37/39-16
hazard_class: 6.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H226-H302+H312+H332-H315-H317-H319-H334-H335
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Difluorophenyl isocyanate has been used:in the synthesis of N,N-disubstituted S,N′-diarylisothioureasas blocking reagent, to modify the hydroxyl, amine and epoxide functional groups of cured MY720/DDS epoxy thin films