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
Show more names
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
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
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.
- solubility
- 1 mg/l · <1mg/l
- form
- Crystalline Powder
- pka
- 2.31 · 2.31±0.10(Predicted)
- color
- Yellow to greenish-yellow
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 23 ºC
- BRN
- 388393 · 388393
- InChI
- 1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
- InChIKey
- HFCFJYRLBAANKN-UHFFFAOYSA-N
- SMILES
- Cc1c(N)cccc1[N+]([O-])=O
- CAS DataBase Reference
- 603 · 603-83-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 JC433CEB · D3JC433CEB
- NIST Chemistry Reference
- 2 · 2-Methyl-3-nitroaniline(603-83-8)
- EPA Substance Registry System
- 2 · 2-Methyl-3-nitroaniline (603-83-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H410
- Precautionary statements
- 273 · P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T,N
- Risk Statements
- 23 · 23/24/25-33-51/53
- Safety Statements
- 28 · 28-36/37-45-61-28A
- RIDADR
- 2660 · UN 2660 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 8200000 · XU8200000
- Hazard Note
- Toxic
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214300 · 29214300
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
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
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
Safety & protection
First Aid
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
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.
Personal Protective Equipment (PPE)
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,N
- hazard_note
- Toxic
- safety_code
- 28-36/37-45-61-28A
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301+H311+H331-H373-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
- Precautionary statements
- P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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