| CAS Number | 26407-07-8 |
| Catalog Number | AG002T3H(AGN-PC-04RKFD) |
| Chemical Name | 4-(2-bromoethyl)aniline HCl |
| IUPAC Name | 4-(2-bromoethyl)aniline;hydrochloride |
| InChI | InChI=1S/C8H10BrN.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4H,5-6,10H2;1H |
| InChI Key | UTDQPIXNPMGGPK-UHFFFAOYSA-N |
| MDL Number | MFCD04038116 |
| Molecular Formula | C8H11BrClN |
| Molecular Weight | 236.5366 |
| SMILES | NC1=CC=C(CCBr)C=C1.[H]Cl |
| Synonyms | 4-(2-bromoethyl)aniline HCl,
26407-07-8,
4-(2-bromoethyl)aniline hydrochloride,
ACMC-209j43,
ANW-29041,
MFCD04038116,
p-(2-Bromoethyl)anilineHydrochloride,
p-(2-bromoethyl)aniline hydrochloride,
AKOS025295278,
ACM26407078,
TC-117786,
V4788,
Benzenamine, 4-(2-bromoethyl)-, hydrochloride (1:1),
p- anilineHydrochloride,
C8H10BrN.HCl,
4-(2-Bromoethyl)aniline hydrochloride (1:1),
39232-03-6,
|
| Complexity | 87.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.537g/mol |
| Monoisotopic Mass | 234.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number