N,N-Bis(2-chloroethyl)aniline
- Product NameN,N-Bis(2-chloroethyl)aniline
- CAS553-27-5
- CBNumberCB3698684
- MFC10H13Cl2N
- MW218.12
- MDL NumberMFCD00013689
- MOL File553-27-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 45° |
| Boiling point | bp14 164°; bp0.5 110° |
| Density | 1.2431 (rough estimate) |
| refractive index | 1.6300 (estimate) |
| storage temp. | Refrigerator, under inert atmosphere |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form | Solid |
| pka | 4.35±0.50(Predicted) |
| color | Stout prisms from methanol |
| InChI | InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | ROSJKFFLIXTTAW-UHFFFAOYSA-N |
| SMILES | C1(N(CCCl)CCCl)=CC=CC=C1 |
| EWG's Food Scores | 1 |
| FDA UNII | CUJ6745Z9J |
| NCI Drug Dictionary | aniline mustard |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H314-H318 |
| Precautionary statements | P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310 |
| RIDADR | UN3259 |
| HazardClass | 8 |
| Toxicity | LD50 orl-rat: 239 mg/kg NCIMR* -,469,69 |
