Registration Dossier
Registration Dossier
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EC number: 261-874-9 | CAS number: 59709-38-5
Reference substances
- IUPAC name:
- methyl N-[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-β-alaninate
Inventory
- EC number:
- 261-874-9
- EC name:
- Methyl N-[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-β-alaninate
- CAS number:
- 59709-38-5
- CAS number:
- 59709-38-5
Synonyms
- Names:
- .beta.-Alanine, N- 4- (2-bromo-6-chloro-4-nitrophenyl)azo phenyl -N-(3-methoxy-3-oxopropyl)-, methyl
- .beta.-Alanine, N-[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
- ß-Alanine, N-[4-[(2-bromo-6-chloro-4- nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl )-, methyl ester
- Identifier:
- IUPAC name
- (E)-dimethyl 3,3'-(4-((2-bromo-6-chloro-4- nitrophenyl)diazenyl)phenylazanediyl)dipropanoate
- Identifier:
- other: SMILES notation
- COC(=O)CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C
- dimethyl 3,3'-({4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)
Molecular and structural information
- Molecular formula:
- C20H20BrClN4O6
- Molecular weight:
- 527.753
- SMILES notation:
- Brc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O
- InChl:
- InChI=1/C20H20BrClN4O6/c1-31-18(27)7-9-25(10-8-19(28)32-2)14-5-3-13(4-6-14)23-24-20-16(21)11-15(26(29)30)12-17(20)22/h3-6,11-12H,7-10H2,1-2H3
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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