| CAS Number | 24933-59-3 |
| Catalog Number | AG00BEH7(AGN-PC-0NMORF) |
| Chemical Name | 3-[(difluoromethyl)sulfanyl]aniline |
| IUPAC Name | 3-(difluoromethylsulfanyl)aniline |
| InChI | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H,10H2 |
| InChI Key | QERJXWVRWIMFQE-UHFFFAOYSA-N |
| MDL Number | MFCD07777164 |
| Molecular Formula | C7H7F2NS |
| Molecular Weight | 175.1990 |
| SMILES | NC1=CC(SC(F)F)=CC=C1 |
| Synonyms | 24933-59-3,
3-(difluoromethylthio)aniline,
3-[(difluoromethyl)sulfanyl]aniline,
3-Difluoromethylsulfanyl-phenylamine,
AC1Q51RR,
CTK4F4666,
DTXSID90650154,
MFCD07777164,
ZINC15442446,
3-(Difluoromethyl)sulfanyl-phenylamine,
AKOS006237434,
Benzenamine,3-[(difluoromethyl)thio]-,
MCULE-2917523045,
NE13707,
Benzenamine, 3-[(difluoromethyl)thio]-,
DB-046585,
FT-0638476,
EN300-65368,
Z1262395931,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.197g/mol |
| Monoisotopic Mass | 175.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H311-H315-H318-H332-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2810
|
Certificate of Analysis
Lot Number