Introduction：Basic information about CAS 54413-44-4|N-benzyl-6-chloro-5-nitropyrimidin-4-amine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | N-benzyl-6-chloro-5-nitropyrimidin-4-amine |
|---|
| CAS Number | 54413-44-4 | Molecular Weight | 264.66800 |
|---|
| Density | 1.471g/cm3 | Boiling Point | 455.7ºC at 760 mmHg |
|---|
| Molecular Formula | C11H9ClN4O2 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 229.4ºC |
|---|
Names
| Name | N-benzyl-6-chloro-5-nitropyrimidin-4-amine |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.471g/cm3 |
|---|
| Boiling Point | 455.7ºC at 760 mmHg |
|---|
| Molecular Formula | C11H9ClN4O2 |
|---|
| Molecular Weight | 264.66800 |
|---|
| Flash Point | 229.4ºC |
|---|
| Exact Mass | 264.04100 |
|---|
| PSA | 83.63000 |
|---|
| LogP | 3.24650 |
|---|
| Index of Refraction | 1.68 |
|---|
| InChIKey | ASOXKHIUELNIFG-UHFFFAOYSA-N |
|---|
| SMILES | O=[N+]([O-])c1c(Cl)ncnc1NCc1ccccc1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UV6260420
- CHEMICAL NAME :
- 4-Pyrimidinamine, 6-chloro-5-nitro-N-(phenylmethyl)-
- CAS REGISTRY NUMBER :
- 54413-44-4
- BEILSTEIN REFERENCE NO. :
- 0542605
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H9-Cl-N4-O2
- MOLECULAR WEIGHT :
- 264.69
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- PHREEB Pharmaceutical Research. (Thieme Inc., 381 Park Ave. S, New York, NY 10016) No.1- 1984- Volume(issue)/page/year: 2,146,1985
|
Safety Information
Customs
| HS Code | 2933599090 |
|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| 6-Chloro-5-nitro-N-(phenylmethyl)-4-pyrimidinamine |
| 6-Chlor-5-nitro-4-benzylaminopyrimidin |
| N-benzyl-6-chloro-5-nitro-4-pyrimidinamine |
| 4-Pyrimidinamine,6-chloro-5-nitro-N-(phenylmethyl) |
| benzyl-(6-chloro-5-nitro-pyrimidin-4-yl)-amine |
| 4-Benzylamino-6-chloro-5-nitropyrimidine |
