3,5-DINITROPHENOL

Modify Date: 2025-08-23 19:43:31

3,5-DINITROPHENOL structure	Common Name	3,5-DINITROPHENOL
	CAS Number	586-11-8	Molecular Weight	184.10600
	Density	1.65g/cm3	Boiling Point	341.1ºC at 760mmHg
	Molecular Formula	C₆H₄N₂O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	157.2ºC

Name	3,5-dinitrophenol
Synonym	More Synonyms

Density	1.65g/cm3
Boiling Point	341.1ºC at 760mmHg
Molecular Formula	C₆H₄N₂O₅
Molecular Weight	184.10600
Flash Point	157.2ºC
Exact Mass	184.01200
PSA	111.87000
LogP	2.25500
Index of Refraction	1.649
InChIKey	UEMBNLWZFIWQFL-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL3050000

CHEMICAL NAME :: Phenol, 3,5-dinitro-

CAS REGISTRY NUMBER :: 586-11-8

BEILSTEIN REFERENCE NO. :: 1879348

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C6-H4-N2-O5

MOLECULAR WEIGHT :: 184.12

WISWESSER LINE NOTATION :: WNR CQ ENW

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 :: 45 mg/kg

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

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 11,462,1959

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

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

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 11,462,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 11,462,1959

RIDADR	UN 1320
Packaging Group	I
Hazard Class	4.1

Precursor 8
CAS#:5327-44-6 3,5-Dinitroanisole CAS#:32654-60-7 4-amino-3,5-din... CAS#:107-29-9 Acetaldoxime CAS#:99-35-4 1,3,5-trinitrob...
CAS#:731772-53-5 5-acetoxy-2-ace... CAS#:108-95-2 Phenol CAS#:80824-77-7 (4-benzamidophe... CAS#:34253-18-4 2,4-Dinitrophen...
DownStream 3
CAS#:52427-05-1 2-Bromo-5-nitro... CAS#:55120-56-4 5-Amino-2-bromo... CAS#:618-64-4 3-Amino-5-nitro...

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