2,5-Difluoronitrobenzene

HCID 67767
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Basic information

CAS
364-74-9
Standard SMILES
O=[N+]([O-])c1cc(F)ccc1F
InChIKey
XNJAYQHWXYJBBD-UHFFFAOYSA-N
Molecular formula
C6H3F2NO2
Average molar mass
159.09 g/mol
Monoisotopic mass
159.01318478

Overview

structure given in first source

Names & identifiers

Preferred name
2,5-Difluoronitrobenzene
IUPAC
1,4-difluoro-2-nitrobenzene
English name
2,5-Difluoronitrobenzene
Molecular formula
C6H3F2NO2
Molecular weight
159.09

Names & synonyms

2,5-Difluoronitrobenzene364-74-91,4-Difluoro-2-nitrobenzeneBenzene, 1,4-difluoro-2-nitro-UYT39NR8J2NSC-528657DTXSID60189921RefChem:82849DTXCID20112412206-663-42,5-difluoro-1-nitrobenzene1,4-Difluoro-2-nitro-benzene
Show more names
AKOS BBS-000064682,5-Difluoronitroben3,5-diflurobenzalcohol2,5-Difluotonitrobenzene1,4-difluoro-2-nitro-benzen2,5-Difluoronitrobenzene98%1-Nitro-2,5-difluorobenzene
MFCD00007054NSC 5286572,5 difluoronitrobenzene2,5 -difluoronitrobenzeneSCHEMBL1027802,5-Difluoronitrobenzene, 97%NSC528657EINECS 206-663-4

Database identifiers

CAS
364-74-9
PubChem CID
67767
DTXSID
DTXSID60189921
ChEMBL
CHEMBL164704
UNII
UYT39NR8J2
EC Number
206-663-4
Nikkaji
J193.868A

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesOptical coefficient
LogP1.86
Vapor Pressure0.35 [mmHg]
Physical DescriptionLight yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-11.7 °C · -11.7 °C (lit.)
Boiling point
206.5 °C · 206.5 °C (lit.)
Density
1.467 g/mL · 1.467 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.509(lit.)
Flash point
194 °F · 194 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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.

Hazard information

Hazards SummaryCauses methemoglobinemia in acute oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by inhalation; Harmful by ingestion and skin absorption; May have cumulative effects; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (16.3%)

Toxicology

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
CZ5715000
ridadr
2810
hs_code
29049090
risk_code
36/37/38

Chemistry & industry

Applications

Uses2,5-Difluoronitrobenzene was used in the synthesis of :N-alkylated 2-arylaminobenzimidazolesquinoxalinonesN-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

284 records
New reaction record

Compound notes

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