Home Bromides 2131-59-1
2131-59-1,MFCD00004803
Catalog No.:AA003J22
2131-59-1 | 3-Bromophenyl isothiocyanate
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1g
95%
in stock  
$36.00   $25.00
- +
5g
95%
in stock  
$105.00   $73.00
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25g
95%
in stock  
$445.00   $312.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003J22
Chemical Name:
3-Bromophenyl isothiocyanate
CAS Number:
2131-59-1
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD00004803
IUPAC Name:
1-bromo-3-isothiocyanatobenzene
InChI:
InChI=1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI Key:
ZMGMGHNOACSMQN-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.925g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.08g/mol
Monoisotopic Mass:
212.925g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
3-Bromophenyl isothiocyanate 
2131-59-1 
MFCD00004803 
Isothiocyanic Acid 3-Bromophenyl Ester 
BRN 2081173 
ACMC-1CHHG 
m-Bromphenylisothiocyanat 
AC1Q24JL 
AC1L281C 
SCHEMBL1020537 
CTK4E6436 
ZMGMGHNOACSMQN-UHFFFAOYSA- 
1-Bromo-3-isothiocyanatobenzene 
DTXSID30175578 
1-Bromo-3-isothiocyanatobenzene # 
1-bromanyl-3-isothiocyanato-benzene 
3-Bromophenyl isothiocyanate, 97% 
ZINC2504432 
7235AD 
ANW-24395 
SBB094911 
AKOS000212189 
NE21116 
m-Bromophenyl isothiocyanate 
VZ26512 
BP-12889 
LS-86390 
DB-022392 
TR-009996 
FT-0613790 
I0524 
EN300-15010 
3-12-00-01427 (Beilstein Handbook Reference) 
A815265 
Benzene, 1-bromo-3-isothiocyanato- 
J-802109 
I01-17138 
F2121-0330 
InChI=1/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H 
C7H4BrNS 
3-bromobenzenisothiocyanate 
CID16481 
5-Chloro-2-methoxyphenyl isothiocyanate 
ISOTHIOCYANIC ACID, m-BROMOPHENYL ESTER 
3-Bromophenylisothiocyanate 
1-Bromo-3-isothiocyanato-benzene 
ZMGMGHNOACSMQN-UHFFFAOYSA-N 
Benzene,1-bromo-3-isothiocyanato- 
Literature
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