1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene

Modify Date: 2025-10-29 20:37:19

1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene Structure
1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene structure
Common Name 1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene
CAS Number 54616-45-4 Molecular Weight 327.12000
Density 1.511g/cm3 Boiling Point 488.8ºC at 760 mmHg
Molecular Formula C13H8Cl2N2O4 Melting Point N/A
MSDS N/A Flash Point 249.4ºC

 Names

Name Methane, bis(4-chloro-2-nitrophenyl)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.511g/cm3
Boiling Point 488.8ºC at 760 mmHg
Molecular Formula C13H8Cl2N2O4
Molecular Weight 327.12000
Flash Point 249.4ºC
Exact Mass 325.98600
PSA 91.64000
LogP 5.44700
Index of Refraction 1.644
InChIKey BFCWWXMPXHWCJT-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc(Cl)ccc1Cc1ccc(Cl)cc1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PA3865000
CHEMICAL NAME :
Methane, bis(4-chloro-2-nitrophenyl)-
CAS REGISTRY NUMBER :
54616-45-4
BEILSTEIN REFERENCE NO. :
2168611
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H8-Cl2-N2-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01558

 Safety Information

HS Code 2904909090

 Synthetic Route

~%

1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene Structure

1-chloro-4-[(4-...

CAS#:54616-45-4

Literature: Mascarelli; Toschi; Zambonini Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1910 , vol. <5> 19 II, p. 340 Gazzetta Chimica Italiana, 1912 , vol. 42 I, p. 79

~%

1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene Structure

1-chloro-4-[(4-...

CAS#:54616-45-4

Literature: Popp,F.D. et al. Journal of Heterocyclic Chemistry, 1969 , vol. 6, p. 285 - 290

~%

1-chloro-4-[(4-chloro-3-nitro-phenyl)methyl]-2-nitro-benzene Structure

1-chloro-4-[(4-...

CAS#:54616-45-4

Literature: Catala,A.; Popp,F.D. Journal of Heterocyclic Chemistry, 1964 , vol. 1, p. 178 - 181

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2904909090
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

4,4'-Dichlor-2,2'-dinitro-diphenylmethan
2.2'-Dinitro-4.4'-dichlor-diphenylmethan
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