2-Bromo-4-nitro(trifluoromethoxy)benzene

HCID 24721641CAS 200958-40-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(OC(F)(F)F)c(Br)c1
InChIKey
LVTAFGFYMLODQP-UHFFFAOYSA-N
Molecular formula
C7H3BrF3NO3
Average molar mass
286 g/mol
Monoisotopic mass
284.92483972

Names & identifiers

Preferred name
2-Bromo-4-nitro(trifluoromethoxy)benzene
IUPAC
2-bromo-4-nitro-1-(trifluoromethoxy)benzene
English name
2-Bromo-4-nitro-1-(trifluoromethoxy)benzene
Molecular formula
C7H3BrF3NO3
Molecular weight
286

Names & synonyms

2-Bromo-4-nitro(trifluoromethoxy)benzeneRefChem:466605642-492-5200958-40-32-bromo-4-nitro-1-(trifluoromethoxy)benzeneMFCD04973758Benzene, 2-bromo-4-nitro-1-(trifluoromethoxy)-2-Bromo-4-nitrotrifluoromethoxybenzeneSCHEMBL1612471SCHEMBL31721274DTXSID00641073SBB065190
Show more names
5-nitro-2-trifluoromethoxybromobenzene2-BROMO-4-NITRO(TRIFLUOROMETHOXY)BENZENE ISO 9001：2015 REACH
AKOS008901076CS-W010021DS-12648SY034795DB-012998ST50827001I10780F013788

Database identifiers

CAS
200958-40-3
PubChem CID
24721641
DTXSID
DTXSID00641073
EC Number
642-492-5

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Boiling point
260.7 · 260.7±35.0 °C(Predicted)
Density
1.811 · 1.811±0.06 g/cm3(Predicted)
refractive index
1.508 · 1.508
storage temp.
Sealed in dry,Room Temperature
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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 7 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. 4 (28.6%)

Safety data

hs_code
2909309090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Bromo-4-nitro-1-(trifluoromethoxy)benzene is a polysubstituted organic benzene compound, mainly used in the preparation of pharmaceutical and chemical intermediates.

Upstream & downstream products

Suppliers50 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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