Azobenzene, 4-bis(2-iodoethyl)amino-2-carboxy-2-methyl-

Modify Date: 2025-09-09 11:13:11

Azobenzene, 4-bis(2-iodoethyl)amino-2-carboxy-2-methyl- structure	Common Name	Azobenzene, 4-bis(2-iodoethyl)amino-2-carboxy-2-methyl-
	CAS Number	40136-89-8	Molecular Weight	563.17100
	Density	1.79g/cm3	Boiling Point	635.3ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₉I₂N₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	338ºC

Name	2-[[4-[bis(2-iodoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Synonym	More Synonyms

Density	1.79g/cm3
Boiling Point	635.3ºC at 760 mmHg
Molecular Formula	C₁₈H₁₉I₂N₃O₂
Molecular Weight	563.17100
Flash Point	338ºC
Exact Mass	562.95700
PSA	65.26000
LogP	5.78500
Index of Refraction	1.668
InChIKey	QFQHSEVSDPSZRN-UHFFFAOYSA-N
SMILES	Cc1cc(N(CCI)CCI)ccc1N=Nc1ccccc1C(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4440000

CHEMICAL NAME :: Benzoic acid, 2-((4-bis(2-iodoethyl)amino-2-methyl)phenyl)azo-

CAS REGISTRY NUMBER :: 40136-89-8

LAST UPDATED :: 199009

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H19-I2-N3-O2

MOLECULAR WEIGHT :: 563.20

WISWESSER LINE NOTATION :: QVR BNUNR B1 DN2I2I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 50,243,1973

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