2-Methyl-3-nitroaniline

HCID 11783CAS 603-83-8

Basic information

Standard SMILES
Cc1c(N)cccc1[N+](=O)[O-]
InChIKey
HFCFJYRLBAANKN-UHFFFAOYSA-N
Molecular formula
C7H8N2O2
Average molar mass
152.15 g/mol
Monoisotopic mass
152.0585775

Overview

2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)

Names & identifiers

Preferred name
2-Methyl-3-nitroaniline
IUPAC
2-methyl-3-nitroaniline
English name
2-Methyl-3-nitroaniline
Molecular formula
C7H8N2O2
Molecular weight
152.15

Names & synonyms

2-Methyl-3-nitroaniline603-83-82-Amino-6-nitrotoluene3-NITRO-O-TOLUIDINEBenzenamine, 2-methyl-3-nitro-o-Toluidine, 3-nitro-2-methyl-3-nitrobenzenamine1-Amino-2-methyl-3-nitrobenzeneDTXSID8025628D3JC433CEB6-nitro-2-aminotoluene6-Amino-2-nitrotoluene
Show more names
-3-nitroaniL3-nitro-o-toluidinMethyl-3-nitroanilLABOTEST-BB LTBB0006222-Methy-3-nitroaniline2-NITRO-6-AMINOTOLUENE
NSC-227939DTXCID505628NSC-25011RefChem:475379210-059-62-methyl-3-nitro-anilineMFCD000077312-methyl-3-nitro-phenylamine

Database identifiers

CAS
603-83-8
PubChem CID
11783
DTXSID
DTXSID8025628
ChEMBL
CHEMBL1882292
UNII
D3JC433CEB
EC Number
210-059-6
Nikkaji
J85.099C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Boiling Point581 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point198 °F (NTP, 1992)
Physical Description2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)

Physicochemical properties

Melting point
88 · 88-90 °C (lit.)
Boiling point
305 °C · 305 °C (lit.)
Density
1.378 · 1.378
refractive index
1.6394 · 1.6394 (estimate)
Flash point
305 °C · 305°C
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenamine, 2-methyl-3-nitro-

2-Methyl-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include skin and eye irritation.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2-METHYL-3-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizers. (NTP, 1992)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
rtecs
XU8200000
ridadr
UN 2660 6.1/PG 3
hs_code
29214300
risk_code
23/24/25-33-51/53

Chemistry & industry

Applications

Uses2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline) has been used as a standard while evaluating the potential for degradation of nitroaromatic compounds by indigenous microorganisms.

General DescriptionYellow rhombic needles (from water) or bright yellow powder.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

112 records

Linked notes

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