3,5-Dinitrotoluene

Modify Date: 2026-07-15 18:13:25

3,5-Dinitrotoluene structure	Common Name	3,5-Dinitrotoluene
	CAS Number	618-85-9	Molecular Weight	182.13400
	Density	1.407g/cm3	Boiling Point	307.5ºC at 760 mmHg
	Molecular Formula	C₇H₆N₂O₄	Melting Point	93ºC
	MSDS	N/A	Flash Point	152.6ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	1-Methyl-3,5-dinitrobenzene
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.407g/cm3
Boiling Point	307.5ºC at 760 mmHg
Melting Point	93ºC
Molecular Formula	C₇H₆N₂O₄
Molecular Weight	182.13400
Flash Point	152.6ºC
Exact Mass	182.03300
PSA	91.64000
LogP	2.85780
Index of Refraction	1.598
InChIKey	RUIFULUFLANOCI-UHFFFAOYSA-N
SMILES	Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT2150000

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

CAS REGISTRY NUMBER :: 618-85-9

BEILSTEIN REFERENCE NO. :: 2052045

LAST UPDATED :: 199612

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C7-H6-N2-O4

MOLECULAR WEIGHT :: 182.15

WISWESSER LINE NOTATION :: WNR C1 ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 216 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 607 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A080-146 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,309,1996 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,309,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,309,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 3,5-DINITROTOLUENE-air:10H CA TWA 1.5 mg/m3 (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Risk Phrases	45-23/24/25-48/22-62-68-52/53
HS Code	2904203000

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:108-88-3 Toluene CAS#:18905-50-5 2-chloro-1-meth... CAS#:6393-42-6 Benzenamine,4-m... CAS#:49804-47-9 N-(4-Methyl-2,6...
CAS#:103-89-9 4'-Methylacetanilide CAS#:89853-18-9 (2-methyl-4,6-d... CAS#:622-60-6 Benzene,1-ethox... CAS#:614-71-1 o-Ethoxytoluene
CAS#:29507-41-3 2-methyl-4,6-di... CAS#:29506-83-0 (2-methyl-4,6-d...
DownStream 10
CAS#:108-71-4 5-Methylbenzene... CAS#:823-40-5 2,6-diaminotoluene CAS#:95-80-7 2,4-Diaminotoluene CAS#:496-72-0 3,4-Diaminotoluene
CAS#:95-70-5 2,5-Diaminotoluene CAS#:2687-25-4 2,3-diaminotoluene CAS#:499-08-1 3-FLUORO-5-NITR... CAS#:99-34-3 3,5-Dinitrobenz...
CAS#:610-39-9 3,4-dinitrotoluene CAS#:52488-28-5 1-Bromo-3-methy...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2904203000
Summary	2904203000 4-methyl-1,2-dinitrobenzene。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:20.0%

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1-methyl-3,5-dinitrobenzene

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 1-Methyl-3,5-dinitrobenzene?

A: Polar surface area (PSA) of 1-Methyl-3,5-dinitrobenzene is 91.64000.

Q: What is the InChIKey of 1-Methyl-3,5-dinitrobenzene?

A: InChIKey of 1-Methyl-3,5-dinitrobenzene is RUIFULUFLANOCI-UHFFFAOYSA-N.

Q: What is the CAS number of 1-Methyl-3,5-dinitrobenzene?

A: CAS number of 1-Methyl-3,5-dinitrobenzene is 618-85-9.

Q: What are the upstream materials of 1-Methyl-3,5-dinitrobenzene?

A: Related upstream materials(CAS) of 1-Methyl-3,5-dinitrobenzene: 108-88-3;18905-50-5;6393-42-6;49804-47-9;103-89-9;89853-18-9;622-60-6;614-71-1;29507-41-3;29506-83-0.

Q: What is the molecular weight of 1-Methyl-3,5-dinitrobenzene?

A: Molecular weight of 1-Methyl-3,5-dinitrobenzene is 182.13400.

Q: What is the melting point of 1-Methyl-3,5-dinitrobenzene?

A: Melting point of 1-Methyl-3,5-dinitrobenzene is 93ºC.

Q: What is the boiling point of 1-Methyl-3,5-dinitrobenzene?

A: Boiling point of 1-Methyl-3,5-dinitrobenzene is 307.5ºC at 760 mmHg.

Q: What is the SMILES notation of 1-Methyl-3,5-dinitrobenzene?

A: SMILES notation of 1-Methyl-3,5-dinitrobenzene is Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.

Q: What are the downstream products of 1-Methyl-3,5-dinitrobenzene?

A: Related downstream products(CAS) of 1-Methyl-3,5-dinitrobenzene: 108-71-4;823-40-5;95-80-7;496-72-0;95-70-5;2687-25-4;499-08-1;99-34-3;610-39-9;52488-28-5.

Q: What English synonyms does 1-Methyl-3,5-dinitrobenzene have?

A: English synonyms of 1-Methyl-3,5-dinitrobenzene: 1-methyl-3,5-dinitrobenzene.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3,5-Dinitrotoluene
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3,5-Dinitrotoluene
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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3,5-Dinitrotoluene

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.