1,2-Difluoro-4,5-dinitrobenzene

HCID 12700910CAS 85686-97-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(F)c(F)cc1[N+](=O)[O-]
InChIKey
XOAAAPHKZDETSB-UHFFFAOYSA-N
Molecular formula
C6H2F2N2O4
Average molar mass
204.09 g/mol
Monoisotopic mass
203.99826298

Names & identifiers

Preferred name
1,2-Difluoro-4,5-dinitrobenzene
IUPAC
1,2-difluoro-4,5-dinitrobenzene
English name
1,2-difluoro-4,5-dinitrobenzene
Molecular formula
C6H2F2N2O4
Molecular weight
204.09

Names & synonyms

1,2-difluoro-4,5-dinitrobenzene85686-97-1DTXSID10507358RefChem:215930DTXCID80458166861-445-1Benzene, 1,2-difluoro-4,5-dinitro-1,2-Dinitro-4,5-difluorobenzeneMFCD001855971,2-difluoro-4,5- dinitrobenzeneSCHEMBL3756498SCHEMBL30257990
Show more names
1,2-difluoro-4,5-dinitro-benzeneKDA68697AKOS024262500AS-40728SY184900DB-259122CS-0147593EN300-61138

Database identifiers

CAS
85686-97-1
PubChem CID
12700910
DTXSID
DTXSID10507358
EC Number
861-445-1
Nikkaji
J1.366.061A

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Boiling point
337 · 337.0±37.0 °C(Predicted)
Density
1.679 · 1.679±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
White to light yellow Solid
Symbol(GHS)
7 · GHS07,GHS08
Signal word
Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300+H310+H330 (33.3%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (66.7%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS08
Hazard statements
H302-H315-H319-H340
Precautionary statements
P501-P201-P264-P280-P308+P313-P337+P313

Chemistry & industry

Upstream & downstream products

Suppliers50 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…