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| Name |
2'-Carboxy-2-methylphenylazo nitrogen mustard |
EINECS | N/A |
| CAS No. | 4213-40-5 | Density | 1.27g/cm3 |
| PSA | 65.26000 | LogP | 5.39260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H19Cl2N3O2 | Boiling Point | 591.8°Cat760mmHg |
| Molecular Weight | 380.30 | Flash Point | 311.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-{4-[bis-(2-chloro-ethyl)-amino]-2-methyl-phenylazo}-benzoic acid;Azobenzene-2-carboxylic acid,4'-(di-2''-chloroethylamino)-2'-methyl;Azo-mustard;4-(N,N-Di-2''-chloroethylamino)-2-methyl-2'-carboxyazobenzene;2'-Carboxy-2-methylphenylazo nitrogen mustard;2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid;CB 1414;2-{4-[Bis-(2-chlor-aethyl)-amino]-2-methyl-phenylazo}-benzoesaeure; |
2'-Carboxy-2-methylphenylazo nitrogen mustard Chemical Properties
Empirical Formula of 2'-Carboxy-2-methylphenylazo nitrogen mustard (CAS NO.4213-40-5): C18H19Cl2N3O2
Molecular Weight: 380.2684
Index of Refraction: 1.594
Density: 1.27 g/cm3
Flash Point: 311.7 °C
Enthalpy of Vaporization: 92.83 kJ/mol
Boiling Point: 591.8 °C at 760 mmHg
Vapour Pressure: 7.49E-15 mmHg at 25 °C
Structure of 2'-Carboxy-2-methylphenylazo nitrogen mustard (CAS NO.4213-40-5):
IUPAC Name: 2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenylbenzoic acid
Canonical SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)O
InChI: InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)
InChIKey: JRQFCUCILBFUNR-UHFFFAOYSA-N
2'-Carboxy-2-methylphenylazo nitrogen mustard Toxicity Data With Reference
| 1. | sln-dmg-par 35 µg | BCPCA6 Biochemical Pharmacology. 5 (1960),206. | ||
| 2. | ipr-rat LD50:45 mg/kg | JNCIAM Journal of the National Cancer Institute. 50 (1973),243. | ||
| 3. | ivn-dog LDLo:950 µg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),202. | ||
| 4. | ivn-mky LDLo:950 µg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),202. |
2'-Carboxy-2-methylphenylazo nitrogen mustard Safety Profile
Poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition 2'-Carboxy-2-methylphenylazo nitrogen mustard (CAS NO.4213-40-5) emits very toxic fumes of Cl− and NOx.
2'-Carboxy-2-methylphenylazo nitrogen mustard Specification
2'-Carboxy-2-methylphenylazo nitrogen mustard , its cas register number is 4213-40-5. It also can be called Azo Mustard ; Benzoic acid, o-((4-((2-chloroethyl)amino)-o-tolyl)azo)- (8CI) ; o-(4-Bis(beta-chloroethyl)amino-o-tolylazo)benzoic acid ; and Benzoic acid, 2-(4-bis(2-chloroethyl)amino-1-(o-tolyl))azo- .
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