4342-03-4
Product Name:
Dacarbazine
Formula:
C6H10N6O
Synonyms:
5-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide;Dacarbazine;DTIC
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dacarbazine appears as white to ivory microcrystals or off-white crystalline solid. (NTP, 1992) |
|---|---|
| Color/Form | IVORY MICROCRYSTALINE SUBSTANCE |
| Melting Point | 482 to 491 °F (explosively decomposes) (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 59 °F (NTP, 1992) |
| LogP | -0.24 |
| Stability/Shelf Life | Dacarbazine is extremely light sensitive and rapidly undergoes photodecomposition. Dacarbazine is sensitive to oxidation but is stable in neutral solutions in the absence of light. |
| Decomposition | When heated to decomposition /temperature unspecified/, it emits toxic fumes of NOx. |
| Dissociation Constants | pKa= 4.42 |
| Other Experimental Properties | Sensitive to oxidation; stable in neutral solutions in absence of light. Extremely light-sensitive: rapidly undergoes chemical decomposition to form 4-diazoimidazole-5-carboxamide ... . |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H340:Germ cell mutagenicity H350:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 182.18 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 182.09160896 g/mol |
| Monoisotopic Mass | 182.09160896 g/mol |
| Topological Polar Surface Area | 99.7 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 215 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dacarbazine appears as white to ivory microcrystals or off-white crystalline solid. (NTP, 1992)