2-Nitrotoluene

Modify Date: 2026-06-30 16:17:10

2-Nitrotoluene Structure
2-Nitrotoluene structure
 Common Name 2-Nitrotoluene
CAS Number 88-72-2 Molecular Weight 137.13600
Density 1.163 g/mL at 25 °C(lit.) Boiling Point 225 °C(lit.)
Molecular Formula C7H7NO2 Melting Point -9 °C
MSDS Chinese USA Flash Point 223 °F
Symbol GHS07 GHS08 GHS09
GHS07, GHS08, GHS09		 Signal Word Danger

 Names

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

Name 2-nitrotoluene
Synonym More Synonyms

 Chemical & Physical Properties

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

Density 1.163 g/mL at 25 °C(lit.)
Boiling Point 225 °C(lit.)
Melting Point -9 °C
Molecular Formula C7H7NO2
Molecular Weight 137.13600
Flash Point 223 °F
Exact Mass 137.04800
PSA 45.82000
LogP 2.42640
Index of Refraction n20/D 1.546(lit.)
InChIKey PLAZTCDQAHEYBI-UHFFFAOYSA-N
SMILES Cc1ccccc1[N+](=O)[O-]
Stability Stable. Combustible. Incompatible with oxidizing agents, strong bases, sulfuric acid, reducing agents, hydrogen, sodium.
Water Solubility 0.44 g/L (20 ºC)

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT3150000
CHEMICAL NAME :
Toluene, o-nitro-
CAS REGISTRY NUMBER :
88-72-2
LAST UPDATED :
199712
DATA ITEMS CITED :
38
MOLECULAR FORMULA :
C7-H7-N-O2
MOLECULAR WEIGHT :
137.15
WISWESSER LINE NOTATION :
WNR B1

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 :
891 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
790 mg/m3
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
970 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
328 mg/m3
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32123 mg/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in platelet count Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
54600 mg/kg/26W-C
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70343 mg/kg/13W-C
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - olfactory nerve change Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8400 mg/kg/14D-I
TOXIC EFFECTS :
Blood - changes in other cell count (unspecified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
54600 mg/kg/26W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - other reproductive system tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
32123 mg/kg
SEX/DURATION :
male 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
69154 mg/kg
SEX/DURATION :
female 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
140 gm/kg
SEX/DURATION :
male 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
DNA adduct
TYPE OF TEST :
Unscheduled DNA synthesis

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** ACGIH TLV-TWA 11 mg/m3 (2 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Limited 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: 65,409,1996 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: 65,409,1996 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: 65,409,1996 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 2 ppm (11 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 2 ppm (11 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 2 ppm (12 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO o-NITROTOLUENE-air:10H TWA 2 ppm (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 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81910 No. of Facilities: 20 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 285 (estimated)

 Safety Information

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

Symbol GHS07 GHS08 GHS09
GHS07, GHS08, GHS09
Signal Word Danger
Hazard Statements H302-H340-H350-H361-H411
Precautionary Statements P201-P273-P281-P308 + P313
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic;N:Dangerousfortheenvironment;
Risk Phrases R22;R45;R46;R51/53;R62
Safety Phrases S53-S45-S61-S27-S16
RIDADR UN 1664 6.1/PG 2
WGK Germany 3
RTECS XT3150000
Packaging Group II
Hazard Class 6.1
HS Code 29042000

 Synthetic Route

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

 Customs

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

HS Code 2904202000
Summary 2904202000 1-methyl-4-nitrobenzene。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%

 Articles33

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Optimizations of packed sorbent and inlet temperature for large volume-direct aqueous injection-gas chromatography to determine high boiling volatile organic compounds in water.

J. Chromatogr. A. 1356 , 221-9, (2014)

For the expanded application area, fast trace analysis of certain high boiling point (i.e., 150-250 °C) volatile organic compounds (HVOCs) in water, a large volume-direct aqueous injection-gas chromat...

Micellar electrokinetic chromatography of organic and peroxide-based explosives.

Anal. Chim. Acta 876 , 91-7, (2015)

CE methods have been developed for the analysis of organic and peroxide-based explosives. These methods have been developed for deployment on portable, in-field instrumentation for rapid screening. Bo...

Reconstructing the evolutionary history of nitrotoluene detection in the transcriptional regulator NtdR.

Mol. Microbiol. 74(4) , 826-43, (2009)

Many toxic man-made compounds have been introduced into the environment, and bacterial strains that are able to grow on them are ideal model systems for studying the evolution of metabolic pathways an...

 Synonyms

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

mononitrotoluene
2-Nitrotoluol
2-methylnitrobenzene
O-NITROTOLUENE
o-nitrotolueneu
ortho-nitrotoluene
o-itrotoluene
2-Nitrotoluene
o-nitrotoluol
o-nitro-toluen
ONT
o-methylnitrobenzene
EINECS 201-853-3
2NT
Toluene,o-nitro
2-nitro toluene
MFCD00007157

 2-Nitrotoluene | FAQ

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

Q: What is the safety information for 2-nitrotoluene?
A: Safety information for 2-nitrotoluene: S53-S45-S61-S27-S16.
Q: What are the upstream materials of 2-nitrotoluene?
A: Related upstream materials(CAS) of 2-nitrotoluene: 16419-60-6;108-88-3;41252-98-6;3740-52-1;95-53-4;10565-14-7;594-27-4;609-73-4;333-27-7.
Q: What is the LogP of 2-nitrotoluene?
A: LogP of 2-nitrotoluene is 2.42640.
Q: What is the melting point of 2-nitrotoluene?
A: Melting point of 2-nitrotoluene is -9 °C.
Q: What is the molecular weight of 2-nitrotoluene?
A: Molecular weight of 2-nitrotoluene is 137.13600.
Q: What is the English name of 2-nitrotoluene?
A: The English name of 2-nitrotoluene is 2-nitrotoluene.
Q: What is the InChIKey of 2-nitrotoluene?
A: InChIKey of 2-nitrotoluene is PLAZTCDQAHEYBI-UHFFFAOYSA-N.
Q: What is the CAS number of 2-nitrotoluene?
A: CAS number of 2-nitrotoluene is 88-72-2.
Q: What English synonyms does 2-nitrotoluene have?
A: English synonyms of 2-nitrotoluene: mononitrotoluene, 2-Nitrotoluol, 2-methylnitrobenzene, O-NITROTOLUENE, o-nitrotolueneu, ortho-nitrotoluene, o-itrotoluene, 2-Nitrotoluene, o-nitrotoluol, o-nitro-toluen, ONT, o-methylnitrobenzene, EINECS 201-853-3, 2NT, Toluene,o-nitro, 2-nitro toluene, MFCD00007157.
Q: What is the polar surface area (PSA) of 2-nitrotoluene?
A: Polar surface area (PSA) of 2-nitrotoluene is 45.82000.

 2-Nitrotoluenefactory

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.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides 2-Nitrotoluene(CAS#:88-72-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 2-Nitrotoluene are included as well.>> amp version: 2-Nitrotoluene

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