Bis(2-chloroethyl)-(4-hydroxy-4-oxobutyl)azanium;2,4,6-trinitrobenzenesulfonate

CAS

100700-27-4

Catalog Number

ACM100700274

Category

Other Products

Molecular Weight

521.284 g/mol

Molecular Formula

C₁₄H₁₈Cl₂N₄O₁₁S

MSDS COA Spec Sheet

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Specification

Synonyms

CID57973, LS-47875, 4-(Bis(2-chloroethyl)amino)butyric acid picrylsulfonate, 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate, BUTYRIC ACID, 4-(BIS(2-CHLOROETHYL)AMINO)-, 2,4,6-TRINITROBENZENESULFONATE, 100700-27-4

IUPAC Name

bis(2-chloroethyl)-(4-hydroxy-4-oxobutyl)azanium; 2,4,6-trinitrobenzenesulfonate

Canonical SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(CC(=O)O)C[NH+](CCCl)CCCl

InChI Key

RTUWHVZDCCZSAZ-UHFFFAOYSA-N

Boiling Point

666.9ºC at 760mmHg

Flash Point

357.1ºC

Exact Mass

520.00700

H-Bond Acceptor

H-Bond Donor

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