2,6-Difluorophenyl isocyanate

HCID 522162

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Basic information

CAS: 65295-69-4
Standard SMILES: O=C=Nc1c(F)cccc1F
InChIKey: YXHDLKWTPVMIOH-UHFFFAOYSA-N
Molecular formula: C7H3F2NO
Average molar mass: 155.1 g/mol
Monoisotopic mass: 155.01827016

Names & identifiers

Preferred name: 2,6-Difluorophenyl isocyanate
IUPAC: 1,3-difluoro-2-isocyanatobenzene
English name: 2,6-DIFLUOROPHENYL ISOCYANATE
Molecular formula: C7H3F2NO
Molecular weight: 155.1

Names & synonyms

2,6-Difluorophenyl isocyanate65295-69-4DTXSID30334865RefChem:83237DTXCID80285954627-554-1DBSXNGIBAKYMSS-UHFFFAOYSA-N1,3-difluoro-2-isocyanatobenzene2,6-DifluorophenylisocyanateMFCD000019982,6 difluorophenylisocyanateSCHEMBL162206

Show more names

TIMTEC-BB SBB0066642,6-Diflurophenyl isocyanate2,6-Difluorobenzene isocyanate2,6-Difluorophenylisocyanate97%2,6-Difluoro-1-isocyanatobenzene2,6-DIFLUOROPHENYL ISOTHIOCYANATE2,6-Difluorophenyl isocyanate 97%

1-isocyanato-2,6-difluoro benzene1,3-Difluoro-2-isocyanato-benzene2,6-Difluorophenyl isocyanate, 97%2,6-difluorobenzenisocyanateBenzene, 1,3-difluoro-2-isocyanato-1,3-bis(fluoranyl)-2-isocyanato-benzene1-Isocyanato-2,6-diFT-0610657

Database identifiers

CAS: 65295-69-4
PubChem CID: 522162
DTXSID: DTXSID30334865
EC Number: 627-554-1

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: 169

Physicochemical properties

Melting point: 22 · 22-25 °C(lit.)
Boiling point: 60 °C10 · 60 °C10 mm Hg(lit.)
Density: 1.24 · 1.24
refractive index: 20 · n20/D 1.4928(lit.)
Flash point: 137 °F · 137 °F
storage temp.: 2 · 2-8°C
form: Liquid or Low Melting Solid
color: White to light yellow
Sensitive: Moisture Sensitive/Lachrymatory
BRN: 7115873 · 7115873
CAS DataBase Reference: 65295 · 65295-69-4(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
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 23 · 23-26-28-37/39
RIDADR: 2930 · UN 2930 6.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Lachrymatory/Moisture sensitive
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29291090 · 29291090
Limited Quantities: 0.5 Kg · 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 (90.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (90.9%)

Safety data

wgk: 3
ridadr: UN 2930 6.1/PG 2
hs_code: 29291090
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS08
hazard_code: Xn
hazard_note: Lachrymatory/Moisture sensitive
safety_code: 23-26-28-37/39
hazard_class: 6.1
packing_group: II
Hazard statements: H226-H302+H312+H332-H315-H317-H319-H334-H335
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338