55-86-7
Product Name:
Mechlorethamine hydrochloride
Formula:
C5H12Cl3N
Synonyms:
NM;Nitrogen mustard;N-Methylbis(2-chloroethyl)amine hydrochloride;2-Chloro-N-(2-chloroethyl)-N-methylethanamine;Bis(2-chloroethyl)methylamine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Nitrogen mustard hydrochloride appears as white to off-white crystals or powder with a fishy odor. Initial pH (2% aqueous solution) 3.0-4.0. (NTP, 1992) |
|---|---|
| Color/Form | Hygroscopic leaflets from acetone or chloroform |
| Melting Point | 226 to 232 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| LogP | log Kow = -1.24 /Estimated/ |
| Stability/Shelf Life | Storage and shelf-life of unopened container: Two years when stored at 2-15 °C. |
| pH | Initial pH of 2% aqueous solution: 3.0-4.0 |
| Dissociation Constants | pKa = 6.43 at 25 °C (conjugate acid) |
| Other Experimental Properties | Dry crystals are stable at temperatures up to 40 deg |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H340:Germ cell mutagenicity H350:Carcinogenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 191.003532 g/mol |
| Monoisotopic Mass | 191.003532 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 43.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nitrogen mustard hydrochloride appears as white to off-white crystals or powder with a fishy odor. Initial pH (2% aqueous solution) 3.0-4.0. (NTP, 1992)