4-Bromo-3-nitrobenzotrifluoride

HCID 520706
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Basic information

CAS
349-03-1
Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Br
InChIKey
PESPBNYBZVIGRO-UHFFFAOYSA-N
Molecular formula
C7H3BrF3NO2
Average molar mass
270 g/mol
Monoisotopic mass
268.9299251

Names & identifiers

Preferred name
4-Bromo-3-nitrobenzotrifluoride
IUPAC
1-bromo-2-nitro-4-(trifluoromethyl)benzene
English name
4-Bromo-3-nitrobenzotrifluoride
Molecular formula
C7H3BrF3NO2
Molecular weight
270

Names & synonyms

4-Bromo-3-nitrobenzotrifluoride349-03-1DTXSID60334434RefChem:520020DTXCID70285524670-406-61-Bromo-2-nitro-4-(trifluoromethyl)benzene2-nitro-4-trifluoromethylbromobenzene3-Nitro-4-bromobenzotrifluorideMFCD00014685Benzene, 1-bromo-2-nitro-4-(trifluoromethyl)-EN300-117149
Show more names
TIMTEC-BB SBB0099033-nitro-4-broMotrifluorotoluol4-BroMo-3-nitro-trifluoroMethyl2-Nitro-5-Bromotrifluorotoluene4-Bromo-3-nitrobenzotrifluoride99%4-Bromo-3-nitrobenzotrifluoride,97%4-Bromo-3-nitrobenzotrifluoride 99%
Toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro-1-Bromo-2-nitro-4-trifluoromethyl-benzeneA822462SCHEMBL227607SCHEMBL294306514-bromo-3-nitro-benzotrifluorideSBB009903AKOS005254631

Database identifiers

CAS
349-03-1
PubChem CID
520706
DTXSID
DTXSID60334434
EC Number
670-406-6
Nikkaji
J149.715D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Boiling point
90 °C · 90 °C (3 mmHg)
Density
1.763 g/mL · 1.763 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.511(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
29049090
risk_code
36/37/38-20/21/22-36/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.

General Description4-Bromo-3-nitrobenzotrifluoride is an organic building block.

Upstream & downstream products

Suppliers100 total

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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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