Home Amines 113170-72-2
113170-72-2,MFCD00042484
Catalog No.:AA003IYE
113170-72-2 | 3-Bromo-4,5-diaminobenzotrifluoride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$16.00   $11.00
- +
5g
98%
in stock  
$65.00   $45.00
- +
10g
98%
in stock  
$108.00   $75.00
- +
25g
98%
in stock  
$215.00   $150.00
- +
100g
98%
in stock  
$715.00   $500.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IYE
Chemical Name:
3-Bromo-4,5-diaminobenzotrifluoride
CAS Number:
113170-72-2
Molecular Formula:
C7H6BrF3N2
Molecular Weight:
255.0351
MDL Number:
MFCD00042484
IUPAC Name:
3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI:
InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChI Key:
OVGAPUVMLZWQQF-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1N)Br)C(F)(F)F
Properties
Computed Properties
 
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.967g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.038g/mol
Monoisotopic Mass:
253.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
113170-72-2 
3-bromo-5-(trifluoromethyl)benzene-1,2-diamine 
4,5-DIAMINO-3-BROMOBENZOTRIFLUORIDE 
3-Bromo-5-trifluoromethyl-1,2-phenylenediamine 
W-204807 
PubChem2253 
AC1LEGNH 
SCHEMBL414157 
PC1374MP 
CTK7D5659 
KS-00000LHB 
DTXSID50352829 
3-Bromo-4,5-diaminobenzotrifluoride 
OVGAPUVMLZWQQF-UHFFFAOYSA-N 
ZINC152846 
ZX-AP004694 
ANW-45251 
SBB101532 
AKOS015890356 
AS05911 
CM13199 
CS-W005049 
FCH1321596 
MFCD00042484 
HCH0021236 
PS-7411 
RP06216 
RTR-002521 
VZ26419 
AJ-12828 
AN-33340 
BC002262 
BP-10357 
CC-14397 
BUTTPARK 82\03-57 
SC-45887 
ZB005270 
3-Bromo-4,5-diaminobenzotrifluoride, 97% 
AX8004509 
ST2404951 
TR-002521 
3 - Bromo - 4,5 - diaminobenzotrifluoride 
FT-0615146 
ST50307892 
X9043 
1,2-diamino-3-bromo-5-(trifluoromethyl)benzene 
1,2-diamino-3-bromo-5-trifluoromethylbenzene 
3-bromo-5-trifluoromethyl-1,2-benzenediamine 
1,2-Diamino-3-bromo-5-trifluoromethyl benzene 
3-Bromo-5-trifluoromethyl-benzene-1,2-diamine 
K-0989 
1-Bromo-2,3-diamino-5-(trifluoromethyl)benzene 
A803025 
C-15811 
1,2-Benzenediamine, 3-bromo-5-(trifluoromethyl)- 
3-bromanyl-5-(trifluoromethyl)benzene-1,2-diamine 
3-Bromo-5-(trifluoromethyl)-1,2-phenylenediamine 
I01-5798 
UFV 
C7H6BrF3N2 
CID735785 
ZINC00152846 
D1189 
3-Bromo-4,5-diaminobenzotrifluoride, 97% - 1G 1g 
2-AMINO-3-BROMO-5-(TRIFLUOROMETHYL)PHENYLAMINE 
3-BROMO-5-(TRIFLUOROMETHYL)-1,2-BENZENEDIAMINE 
AK-79097 
Literature
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